(6S)-6-methyl-2-[3-(4-methylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-6-methyl-2-[3-(4-methylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-methyl-2-[3-(p-tolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[3-(4-methylphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-methyl-2-[3-(4-methylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[3-(p-tolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H22NO3S- MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-12-3-6-14(7-4-12)8-10-17(22)21-19-18(20(23)24)15-9-5-13(2)11-16(15)25-19/h3-4,6-7,13H,5,8-11H2,1-2H3,(H,21,22)(H,23,24)/p-1/t13-/m0/s1