diethyl 5-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1,3-benzodioxol-5-ylmethyleneamino)carbamoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(piperonylideneamino)carbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)NN=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)NN=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O7S/c1-4-27-18(24)15-11(3)16(19(25)28-5-2)31-17(15)22-20(26)23-21-9-12-6-7-13-14(8-12)30-10-29-13/h6-9H,4-5,10H2,1-3H3,(H2,22,23,26)