(6R)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[(2-chloro-4-nitro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[(2-chloro-4-nitro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-8-2-4-11-13(6-8)26-17(14(11)15(19)22)20-16(23)10-5-3-9(21(24)25)7-12(10)18/h3,5,7-8H,2,4,6H2,1H3,(H2,19,22)(H,20,23)/t8-/m1/s1