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

Systemtic Name: (5S)-5-methyl-2-[(3-phenoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-[(3-phenoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-[(3-phenoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-[(3-phenoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H22N2O3S/c1-14-10-11-19-18(12-14)20(21(24)26)23(29-19)25-22(27)15-6-5-9-17(13-15)28-16-7-3-2-4-8-16/h2-9,13-14H,10-12H2,1H3,(H2,24,26)(H,25,27)/t14-/m0/s1