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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(5-nitro-2-furoyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16N2O8S MolecularWeight: 444.41464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O8S/c1-10-15(8-11-3-4-12-14(7-11)29-9-28-12)31-19(17(10)20(24)27-2)21-18(23)13-5-6-16(30-13)22(25)26/h3-7H,8-9H2,1-2H3,(H,21,23)