O2-ethyl O4-propan-2-yl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-])C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-])C(=O)OC(C)C)C

InChI

InChI=1S/C18H22N4O7S/c1-5-28-18(25)15-11(4)14(17(24)29-10(2)3)16(30-15)19-13(23)7-9-21-8-6-12(20-21)22(26)27/h6,8,10H,5,7,9H2,1-4H3,(H,19,23)