4-[2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17ClN2O4S/c1-11-14(19)3-2-4-15(11)21-17(23)10-26-9-16(22)20-13-7-5-12(6-8-13)18(24)25/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)(H,24,25)