3-[2-(3-aminophenyl)sulfanylethanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(3-aminophenyl)sulfanylethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(3-aminophenyl)sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[(3-aminophenyl)thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(3-aminophenyl)sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[(3-aminophenyl)thio]acetyl]amino]-4-chloro-benzoic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)N

InChI

InChI=1S/C15H13ClN2O3S/c16-12-5-4-9(15(20)21)6-13(12)18-14(19)8-22-11-3-1-2-10(17)7-11/h1-7H,8,17H2,(H,18,19)(H,20,21)