ethyl 2-[[[2-acetamido-4-[bis(3-methoxy-3-oxidanylidene-propyl)amino]phenyl]diazenyl]methyl]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[[2-acetamido-4-[bis(3-methoxy-3-oxidanylidene-propyl)amino]phenyl]diazenyl]methyl]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-acetamido-4-[bis(3-methoxy-3-oxo-propyl)amino]phenyl]azomethyl]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azomethyl]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]methyl]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[2-acetamido-4-[bis(3-keto-3-methoxy-propyl)amino]phenyl]azomethyl]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C24H29N5O9S MolecularWeight: 563.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])CN=NC2=C(C=C(C=C2)N(CCC(=O)OC)CCC(=O)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])CN=NC2=C(C=C(C=C2)N(CCC(=O)OC)CCC(=O)OC)NC(=O)C

InChI

InChI=1S/C24H29N5O9S/c1-5-38-24(33)17-13-21(29(34)35)39-20(17)14-25-27-18-7-6-16(12-19(18)26-15(2)30)28(10-8-22(31)36-3)11-9-23(32)37-4/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,26,30)