N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S2/c1-7-2-3-8-10(6-7)21-13(14-8)15-12(17)9-4-5-11(20-9)16(18)19/h4-5,7H,2-3,6H2,1H3,(H,14,15,17)