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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 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-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 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-isopropyl ester Formula: C18H22N4O8S MolecularWeight: 454.45428

Click to see the large picture

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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O8S/c1-6-29-18(25)14-10(4)13(17(24)30-9(2)3)16(31-14)19-12(23)8-21-7-11(22(26)27)15(20-21)28-5/h7,9H,6,8H2,1-5H3,(H,19,23)