methyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,7-dimethoxy-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H25N3O7S3 MolecularWeight: 539.6448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CC(=O)OC

InChI

InChI=1S/C22H25N3O7S3/c1-30-15-9-10-16(31-2)20-19(15)24(13-17(26)32-3)22(34-20)23-21(27)14-7-4-5-11-25(14)35(28,29)18-8-6-12-33-18/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3