[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2S1)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C2=CC=CC=C2S1)C

InChI

InChI=1S/C16H19NO3S/c1-4-9-17-15(18)11(3)20-16(19)14-10(2)12-7-5-6-8-13(12)21-14/h5-8,11H,4,9H2,1-3H3,(H,17,18)/t11-/m0/s1