methyl 4,5-dimethyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O5S2/c1-8-9(2)25-16(14(8)17(21)24-3)18-15(20)13-7-10-6-11(19(22)23)4-5-12(10)26-13/h4-7H,1-3H3,(H,18,20)