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

Systemtic Name: (6S)-2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(4-methoxy-3-nitro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(4-methoxy-3-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(4-methoxy-3-nitro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-9-3-5-11-14(7-9)27-18(15(11)16(19)22)20-17(23)10-4-6-13(26-2)12(8-10)21(24)25/h4,6,8-9H,3,5,7H2,1-2H3,(H2,19,22)(H,20,23)/t9-/m0/s1