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

Systemtic Name: (6S)-6-methyl-2-[2-(4-methylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[2-(4-methylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)COC3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)COC3=CC=C(C=C3)C

InChI

InChI=1S/C19H21NO4S/c1-11-3-6-13(7-4-11)24-10-16(21)20-18-17(19(22)23)14-8-5-12(2)9-15(14)25-18/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,20,21)(H,22,23)/p-1/t12-/m0/s1