diethyl 3-methyl-5-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(3-benzyloxyphenyl)methyleneamino]carbamoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[(3-benzoxybenzylidene)amino]carbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)NN=CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)NN=CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6S/c1-4-33-24(30)21-17(3)22(25(31)34-5-2)36-23(21)28-26(32)29-27-15-19-12-9-13-20(14-19)35-16-18-10-7-6-8-11-18/h6-15H,4-5,16H2,1-3H3,(H2,28,29,32)