methyl 3-[4-[2-(6-cyclopropylcarbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: methyl 3-[4-[2-(6-cyclopropylcarbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: methyl 3-[4-[2-[6-(cyclopropanecarbonyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: 3-[4-[2-[6-[cyclopropyl(oxo)methyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[6-(cyclopropanecarbonyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: 3-[4-[2-[6-(cyclopropanecarbonyl)-2-keto-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propionic acid methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4CC4)SC2=O)C(=O)OC

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4CC4)SC2=O)C(=O)OC

InChI

InChI=1S/C25H27NO6S/c1-3-31-21(24(28)30-2)14-16-4-9-19(10-5-16)32-13-12-26-20-11-8-18(23(27)17-6-7-17)15-22(20)33-25(26)29/h4-5,8-11,15,17,21H,3,6-7,12-14H2,1-2H3