methyl 3-[3-(2-azanyl-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[3-(2-azanyl-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(2-amino-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoate CAS Name: 3-[3-(2-amino-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-amino-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-5-yl)-4-(cyclopentylmethoxy)phenyl]propionic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C23H26N2O3S/c1-27-22(26)11-7-15-6-9-20(28-14-16-4-2-3-5-16)18(12-15)17-8-10-21-19(13-17)25-23(24)29-21/h6,8-10,12-13,16H,2-5,7,11,14H2,1H3,(H2,24,25)