2-[3-(2-azanylidene-3-methyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid

Systemtic Name: 2-[3-(2-azanylidene-3-methyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 2-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid CAS Name: 2-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid Traditional Name: 2-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propionic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N(C(=N)S4)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N(C(=N)S4)C)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-14(22(26)27)16-8-10-20(28-13-15-5-3-4-6-15)18(11-16)17-7-9-19-21(12-17)29-23(24)25(19)2/h7-12,14-15,24H,3-6,13H2,1-2H3,(H,26,27)