methyl 3-methyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[1-(2-thienylsulfonyl)isonipecotoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S3/c1-22-15-6-5-14(19(25)28-2)12-16(15)30-20(22)21-18(24)13-7-9-23(10-8-13)31(26,27)17-4-3-11-29-17/h3-6,11-13H,7-10H2,1-2H3