ZINC08000184
Molecular Formula:
C
20
H
20
N
2
O
4
S
InChI:
InChI=1/C20H20N2O4S/c1-12-4-5-15(8-13(12)2)17(23)6-7-19(25)26-10-18(24)16(9-21)20-22-14(3)11-27-20/h4-5,8,11,16H,6-7,10H2,1-3H3/t16-/m1/s1
InChIKey:
InChIKey=KNYSFLJFGVBQTM-MRXNPFEDBY
SMILES:
CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)C
Names:
ZINC08000184
[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxo-propyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate
Registries:
PubChem CID 9128182
PubChem ID 14343440