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

Systemtic Name: methyl 3-[4-(cyclopentylmethoxy)-3-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(cyclopentylmethoxy)-3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]propanoate CAS Name: 3-[4-(cyclopentylmethoxy)-3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclopentylmethoxy)-3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]propanoate Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(2-keto-3H-1,3-benzothiazol-6-yl)phenyl]propionic acid methyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)NC(=O)S4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)NC(=O)S4

InChI

InChI=1S/C23H25NO4S/c1-27-22(25)11-7-15-6-10-20(28-14-16-4-2-3-5-16)18(12-15)17-8-9-19-21(13-17)29-23(26)24-19/h6,8-10,12-13,16H,2-5,7,11,14H2,1H3,(H,24,26)