methyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethoxy-2-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-[1-(2-thienylsulfonyl)isonipecotoyl]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=C(C=C2C(=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC)OC

InChI

InChI=1S/C22H25N3O7S3/c1-30-16-11-15-18(12-17(16)31-2)34-22(25(15)13-19(26)32-3)23-21(27)14-6-8-24(9-7-14)35(28,29)20-5-4-10-33-20/h4-5,10-12,14H,6-9,13H2,1-3H3