ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(thiomorpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(thiomorpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-methoxyphenyl)thiazol-2-yl]-5-(thiomorpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-2-thiazolyl]-5-(4-thiomorpholin-4-iumylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(thiomorpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)thiazol-2-yl]-5-(thiomorpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH+]4CCSCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH+]4CCSCC4

InChI

InChI=1S/C21H24N4O3S2/c1-3-28-20(26)17-12-22-25(19(17)13-24-8-10-29-11-9-24)21-23-18(14-30-21)15-4-6-16(27-2)7-5-15/h4-7,12,14H,3,8-11,13H2,1-2H3/p+1