[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N)Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-10-3-4-12(6-14(10)19)21-16(24)8-26-17(25)9-27-18-13(7-20)11(2)5-15(23)22-18/h3-6H,8-9H2,1-2H3,(H,21,24)(H,22,23)