methyl 5-(1,3-benzodioxol-5-ylmethylideneamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylideneamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyleneamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethylideneamino)-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylideneamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piperonylideneamino)thiophene-2-carboxylic acid methyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H12N2O4S/c1-9-11(6-17)15(23-14(9)16(19)20-2)18-7-10-3-4-12-13(5-10)22-8-21-12/h3-5,7H,8H2,1-2H3