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

Systemtic Name: (6S)-6-methyl-2-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-methyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-methyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-10-3-6-12(7-4-10)16(20)19-17-15(18(21)22)13-8-5-11(2)9-14(13)23-17/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t11-/m0/s1