methyl 3-(2-ethoxyethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[4-(4-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C26H31N3O6S2/c1-4-35-16-15-29-22-10-7-20(25(31)34-3)17-23(22)36-26(29)27-24(30)19-5-8-21(9-6-19)37(32,33)28-13-11-18(2)12-14-28/h5-10,17-18H,4,11-16H2,1-3H3