[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H19NO3S/c1-13-16-9-5-6-10-17(16)26-19(13)21(24)25-18(14-7-3-2-4-8-14)20(23)22-15-11-12-15/h2-10,15,18H,11-12H2,1H3,(H,22,23)/t18-/m0/s1