4-(3-azanyl-3-oxidanylidene-propyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propyl)sulfanylbenzoic acid Openeye Name: 4-(3-amino-3-oxo-propyl)sulfanylbenzoic acid CAS Name: 4-[(3-amino-3-oxopropyl)thio]benzoic acid IUPAC Name: 4-(3-amino-3-oxopropyl)sulfanylbenzoic acid Traditional Name: 4-[(3-amino-3-keto-propyl)thio]benzoic acid Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCC(=O)N

InChI

InChI=1S/C10H11NO3S/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14)