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

Systemtic Name: (5S)-5-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-9-2-7-13-12(8-9)14(15(18)21)17(25-13)19-16(22)10-3-5-11(6-4-10)20(23)24/h3-6,9H,2,7-8H2,1H3,(H2,18,21)(H,19,22)/t9-/m0/s1