4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(2-amino-1-methyl-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 4-[(1-amino-1-oxopropan-2-yl)thio]benzoic acid IUPAC Name: 4-(1-amino-1-oxopropan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-ethyl)thio]benzoic acid Formula: C10H11NO3S MolecularWeight: 225.26424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C(=O)N)SC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H11NO3S/c1-6(9(11)12)15-8-4-2-7(3-5-8)10(13)14/h2-6H,1H3,(H2,11,12)(H,13,14)