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

Systemtic Name: methyl 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propionic acid methyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=C(S4)N

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=C(S4)N

InChI

InChI=1S/C24H28N2O3S/c1-28-23(27)12-8-16-7-11-21(29-15-17-5-3-2-4-6-17)19(13-16)18-9-10-20-22(14-18)30-24(25)26-20/h7,9-11,13-14,17H,2-6,8,12,15H2,1H3,(H2,25,26)