[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)CSCC2=CC=C(S2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)CSCC2=CC=C(S2)Cl)C#N

InChI

InChI=1S/C16H13ClN2O3S2/c17-14-5-4-13(24-14)9-23-10-16(21)22-8-15(20)19-12-3-1-2-11(6-12)7-18/h1-6H,8-10H2,(H,19,20)