4-[(6-azanyl-3-oxidanylidene-1,2-dihydroinden-5-yl)sulfanyl]benzoic acid

Systemtic Name: 4-[(6-azanyl-3-oxidanylidene-1,2-dihydroinden-5-yl)sulfanyl]benzoic acid Openeye Name: 4-(6-amino-3-oxo-indan-5-yl)sulfanylbenzoic acid CAS Name: 4-[(6-amino-3-oxo-1,2-dihydroinden-5-yl)thio]benzoic acid IUPAC Name: 4-[(6-amino-3-oxo-1,2-dihydroinden-5-yl)sulfanyl]benzoic acid Traditional Name: 4-[(6-amino-3-keto-indan-5-yl)thio]benzoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=CC(=C(C=C21)N)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(=O)C2=CC(=C(C=C21)N)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S/c17-13-7-10-3-6-14(18)12(10)8-15(13)21-11-4-1-9(2-5-11)16(19)20/h1-2,4-5,7-8H,3,6,17H2,(H,19,20)