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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-4-25-18(24)17-13(3)21-12(2)16(17)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)