O2-ethyl O4-methyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C16H18N4O8S MolecularWeight: 426.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C16H18N4O8S/c1-5-28-16(23)12-8(2)11(15(22)27-4)14(29-12)17-10(21)7-19-6-9(20(24)25)13(18-19)26-3/h6H,5,7H2,1-4H3,(H,17,21)