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

Systemtic Name: (6S)-2-[(3,4-dimethylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-2-[(3,4-dimethylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-2-[(3,4-dimethylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(3,4-dimethylbenzoyl)amino]-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)C3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-10-4-7-14-15(8-10)24-18(16(14)19(22)23)20-17(21)13-6-5-11(2)12(3)9-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)(H,22,23)/p-1/t10-/m0/s1