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

Systemtic Name: 4-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]benzoic acid IUPAC Name: 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(2-keto-1-methyl-2-pyrrolidino-ethyl)thio]benzoic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-10(13(16)15-8-2-3-9-15)19-12-6-4-11(5-7-12)14(17)18/h4-7,10H,2-3,8-9H2,1H3,(H,17,18)