(5S)-5-methyl-2-(naphthalen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (5S)-5-methyl-2-(naphthalen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-(naphthalene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-(naphthalene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-(2-naphthoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C21H20N2O2S/c1-12-6-9-17-16(10-12)18(19(22)24)21(26-17)23-20(25)15-8-7-13-4-2-3-5-14(13)11-15/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,22,24)(H,23,25)/t12-/m0/s1