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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

InChI

InChI=1S/C27H33N3O6S2/c1-4-35-17-16-29-23-14-11-21(26(32)36-5-2)18-24(23)37-27(29)28-25(31)20-9-12-22(13-10-20)38(33,34)30-15-7-6-8-19(30)3/h9-14,18-19H,4-8,15-17H2,1-3H3