[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C(=CC=C2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C(=CC=C2)Cl

InChI

InChI=1S/C21H15ClN2O3S/c22-17-8-2-5-15-6-3-9-18(21(15)17)28-13-20(26)27-12-19(25)24-16-7-1-4-14(10-16)11-23/h1-10H,12-13H2,(H,24,25)