2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-12(13-7-3-2-4-8-13)18-16(19)11-22-15-10-6-5-9-14(15)17(20)21/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1