2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanylbenzoic acid Openeye Name: 2-(3-anilino-3-oxo-propyl)sulfanylbenzoic acid CAS Name: 2-[(3-anilino-3-oxopropyl)thio]benzoic acid IUPAC Name: 2-(3-anilino-3-oxopropyl)sulfanylbenzoic acid Traditional Name: 2-[(3-anilino-3-keto-propyl)thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(17-12-6-2-1-3-7-12)10-11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)