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

Systemtic Name: methyl 3-[4-(cyclopentylmethoxy)-3-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(cyclopentylmethoxy)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)phenyl]propanoate CAS Name: 3-[4-(cyclopentylmethoxy)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclopentylmethoxy)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)phenyl]propanoate Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(2-keto-3-methyl-1,3-benzothiazol-6-yl)phenyl]propionic acid methyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)OC)OCC4CCCC4)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)OC)OCC4CCCC4)SC1=O

InChI

InChI=1S/C24H27NO4S/c1-25-20-10-9-18(14-22(20)30-24(25)27)19-13-16(8-12-23(26)28-2)7-11-21(19)29-15-17-5-3-4-6-17/h7,9-11,13-14,17H,3-6,8,12,15H2,1-2H3