ethyl 2-[6-methylsulfanyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfanyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfanyl-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfanyl-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-(methylthio)-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H25N3O5S4 MolecularWeight: 539.711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O5S4/c1-3-30-19(26)14-24-16-10-9-15(31-2)13-18(16)33-22(24)23-21(27)17-7-4-5-11-25(17)34(28,29)20-8-6-12-32-20/h6,8-10,12-13,17H,3-5,7,11,14H2,1-2H3