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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H18N2O7S2 MolecularWeight: 510.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N2O7S2/c1-12-19(8-13-3-5-16-17(7-13)33-11-32-16)35-23(21(12)24(28)31-2)25-22(27)20-10-14-9-15(26(29)30)4-6-18(14)34-20/h3-7,9-10H,8,11H2,1-2H3,(H,25,27)