ethyl 5-[2-[(4-ethoxyphenyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(4-ethoxyphenyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-ethoxyanilino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 5-[2-(4-ethoxyanilino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-ethoxyanilino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(p-phenetidino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NNC(=C3C(=C(C(=N3)C)C(=O)OCC)C)CS2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NNC(=C3C(=C(C(=N3)C)C(=O)OCC)C)CS2

InChI

InChI=1S/C20H24N4O3S/c1-5-26-15-9-7-14(8-10-15)22-20-24-23-16(11-28-20)18-12(3)17(13(4)21-18)19(25)27-6-2/h7-10,23H,5-6,11H2,1-4H3,(H,22,24)