ethyl 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(butylamino)-3-methyl-4H-1,3,4-thiadiazin-3-ium-5-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](NC(=CS1)C2=C(C(=C(N2)C)C(=O)OCC)C)C

Isomeric SMILES

CCCCNC1=[N+](NC(=CS1)C2=C(C(=C(N2)C)C(=O)OCC)C)C

InChI

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