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

Systemtic Name: (5S)-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-2-[(2-chloro-5-nitro-benzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-2-[(2-chloro-5-nitrobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-2-[(2-chloro-5-nitro-benzoyl)amino]-5-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)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S/c1-8-2-5-13-11(6-8)14(15(19)22)17(26-13)20-16(23)10-7-9(21(24)25)3-4-12(10)18/h3-4,7-8H,2,5-6H2,1H3,(H2,19,22)(H,20,23)/t8-/m0/s1