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

Systemtic Name: ethyl 3-methyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)C

InChI

InChI=1S/C21H23N3O5S3/c1-3-29-20(26)14-9-10-15-17(13-14)31-21(23(15)2)22-19(25)16-7-4-5-11-24(16)32(27,28)18-8-6-12-30-18/h6,8-10,12-13,16H,3-5,7,11H2,1-2H3