ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H20N2O7S2 MolecularWeight: 524.5655

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O7S2/c1-3-32-25(29)22-13(2)20(9-14-4-6-17-18(8-14)34-12-33-17)36-24(22)26-23(28)21-11-15-10-16(27(30)31)5-7-19(15)35-21/h4-8,10-11H,3,9,12H2,1-2H3,(H,26,28)