methyl 3-(2-methoxyethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H25N3O6S3 MolecularWeight: 523.6454

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O6S3/c1-30-12-11-24-16-9-8-15(21(27)31-2)14-18(16)33-22(24)23-20(26)17-6-3-4-10-25(17)34(28,29)19-7-5-13-32-19/h5,7-9,13-14,17H,3-4,6,10-12H2,1-2H3