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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-nitrobenzoyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O7S/c1-12-18(10-13-3-8-16-17(9-13)31-11-30-16)32-21(19(12)22(26)29-2)23-20(25)14-4-6-15(7-5-14)24(27)28/h3-9H,10-11H2,1-2H3,(H,23,25)