ethyl 2,5-dimethyl-4-(2-phenylazanyl-4H-1,3,4-thiadiazin-5-ylidene)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-phenylazanyl-4H-1,3,4-thiadiazin-5-ylidene)pyrrole-3-carboxylate Openeye Name: ethyl 4-(2-anilino-4H-1,3,4-thiadiazin-5-ylidene)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(2-anilino-4H-1,3,4-thiadiazin-5-ylidene)-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-4H-1,3,4-thiadiazin-5-ylidene)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(2-anilino-4H-1,3,4-thiadiazin-5-ylidene)-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C18H20N4O2S/c1-4-24-17(23)16-12(3)19-11(2)15(16)14-10-25-18(22-21-14)20-13-8-6-5-7-9-13/h5-9,21H,4,10H2,1-3H3,(H,20,22)