(6S)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[(1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(hydrocinnamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H20NO3S- MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c1-12-7-9-14-15(11-12)24-18(17(14)19(22)23)20-16(21)10-8-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,21)(H,22,23)/p-1/t12-/m0/s1