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

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)methylamino]-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(4-methoxyphenyl)methylamino]-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[2-[(4-methoxyphenyl)methylamino]-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methoxyphenyl)methylamino]-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(p-anisylamino)-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:

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCC3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCC3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C20H24N4O3S/c1-5-27-19(25)18-13(3)22-12(2)17(18)16-11-28-20(24-23-16)21-10-14-6-8-15(26-4)9-7-14/h6-9,23H,5,10-11H2,1-4H3,(H,21,24)