ethyl 2,4-dimethyl-5-[3-methyl-2-(phenylmethyl)imino-1,3,4-thiadiazinan-5-ylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[3-methyl-2-(phenylmethyl)imino-1,3,4-thiadiazinan-5-ylidene]pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-benzylimino-3-methyl-1,3,4-thiadiazinan-5-ylidene)-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[3-methyl-2-(phenylmethyl)imino-1,3,4-thiadiazinan-5-ylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-benzylimino-3-methyl-1,3,4-thiadiazinan-5-ylidene)-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-(2-benzylimino-3-methyl-1,3,4-thiadiazinan-5-ylidene)-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CSC(=NCC3=CC=CC=C3)N(N2)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CSC(=NCC3=CC=CC=C3)N(N2)C)N=C1C)C

InChI

InChI=1S/C20H24N4O2S/c1-5-26-19(25)17-13(2)18(22-14(17)3)16-12-27-20(24(4)23-16)21-11-15-9-7-6-8-10-15/h6-10,23H,5,11-12H2,1-4H3