[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)OC

InChI

InChI=1S/C22H20ClNO5S/c1-27-17-10-9-15(11-18(17)28-2)24-20(25)12-29-21(26)13-30-19-8-4-6-14-5-3-7-16(23)22(14)19/h3-11H,12-13H2,1-2H3,(H,24,25)