3-acetamido-2-(2-carboxyphenyl)sulfanyl-4-chloranyl-benzoic acid

Systemtic Name: 3-acetamido-2-(2-carboxyphenyl)sulfanyl-4-chloranyl-benzoic acid Openeye Name: 3-acetamido-2-(2-carboxyphenyl)sulfanyl-4-chloro-benzoic acid CAS Name: 3-acetamido-2-[(2-carboxyphenyl)thio]-4-chlorobenzoic acid IUPAC Name: 3-acetamido-2-(2-carboxyphenyl)sulfanyl-4-chlorobenzoic acid Traditional Name: 3-acetamido-2-[(2-carboxyphenyl)thio]-4-chloro-benzoic acid Formula: C16H12ClNO5S MolecularWeight: 365.78818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1SC2=CC=CC=C2C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1SC2=CC=CC=C2C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C16H12ClNO5S/c1-8(19)18-13-11(17)7-6-10(16(22)23)14(13)24-12-5-3-2-4-9(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)