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

Systemtic Name: diethyl 3-methyl-5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7S2/c1-4-28-19(24)15-10(3)16(20(25)29-5-2)31-18(15)21-17(23)14-9-11-8-12(22(26)27)6-7-13(11)30-14/h6-9H,4-5H2,1-3H3,(H,21,23)