4-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(4-ethylanilino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(4-ethylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-(4-ethylanilino)-2-keto-ethyl]thio]methyl]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-2-13-5-9-16(10-6-13)19-17(20)12-23-11-14-3-7-15(8-4-14)18(21)22/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22)