2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-ethylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-ethylanilino)-2-keto-ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-2-12-7-3-5-9-14(12)18-16(19)11-22-15-10-6-4-8-13(15)17(20)21/h3-10H,2,11H2,1H3,(H,18,19)(H,20,21)