5-methyl-N-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O3S/c1-10-3-6-15-12(7-10)8-16(23-15)17(20)18-14-9-13(19(21)22)5-4-11(14)2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)