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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(benzylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(benzylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-[2-(benzylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CSC(=NN2)NCC3=CC=CC=C3)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CSC(=NN2)NCC3=CC=CC=C3)N=C1C)C

InChI

InChI=1S/C19H22N4O2S/c1-4-25-18(24)16-12(2)17(21-13(16)3)15-11-26-19(23-22-15)20-10-14-8-6-5-7-9-14/h5-9,22H,4,10-11H2,1-3H3,(H,20,23)