ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

InChI

InChI=1S/C21H22N2O6S2/c1-4-29-20(25)14-5-10-17-18(13-14)30-21(23(17)2)22-19(24)11-12-31(26,27)16-8-6-15(28-3)7-9-16/h5-10,13H,4,11-12H2,1-3H3