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

Systemtic Name: (5S)-2-[(2,4-dinitrophenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-2-[(2,4-dinitrobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-2-[(2,4-dinitrobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-2-[(2,4-dinitrobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6S/c1-8-2-5-13-11(6-8)14(15(18)22)17(28-13)19-16(23)10-4-3-9(20(24)25)7-12(10)21(26)27/h3-4,7-8H,2,5-6H2,1H3,(H2,18,22)(H,19,23)/t8-/m0/s1