2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]benzoic acid IUPAC Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]benzoic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-17(19-13-10-11-13)16(12-6-2-1-3-7-12)23-15-9-5-4-8-14(15)18(21)22/h1-9,13,16H,10-11H2,(H,19,20)(H,21,22)/t16-/m0/s1