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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(3-methylbutylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(isopentylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(3-methylbutylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(3-methylbutylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate Traditional Name: 4-[2-(isoamylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCCC(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCCC(C)C)C)C

InChI

InChI=1S/C17H26N4O2S/c1-6-23-16(22)15-12(5)19-11(4)14(15)13-9-24-17(21-20-13)18-8-7-10(2)3/h10,20H,6-9H2,1-5H3,(H,18,21)