diethyl 3-methyl-5-[(2E)-2-[1-[(4-nitrophenyl)amino]-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(2E)-2-[1-[(4-nitrophenyl)amino]-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2E)-2-[1-[(4-nitrophenyl)carbamoyl]-2-oxo-propylidene]hydrazino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(2E)-2-[1-(4-nitroanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2E)-2-[1-(4-nitroanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]thiophene-2,4-dicarboxylate Traditional Name: 5-[(N'E)-N'-[2-keto-1-[(4-nitrophenyl)carbamoyl]propylidene]hydrazino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H22N4O8S MolecularWeight: 490.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C(C(=O)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N/N=C(\C(=O)C)/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O8S/c1-5-32-20(28)15-11(3)17(21(29)33-6-2)34-19(15)24-23-16(12(4)26)18(27)22-13-7-9-14(10-8-13)25(30)31/h7-10,24H,5-6H2,1-4H3,(H,22,27)/b23-16+