O4-ethyl O2-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

InChI

InChI=1S/C20H21N3O5S/c1-5-27-19(25)17-12(3)18(22-13(17)4)20(26)28-9-16(24)23-15-7-6-14(29-10-21)8-11(15)2/h6-8,22H,5,9H2,1-4H3,(H,23,24)