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

Systemtic Name: methyl 2-azanyl-3-[4-[4-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]phenoxy]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[4-[(2-oxo-1,3-benzothiazol-3-yl)methyl]phenoxy]phenyl]propanoate CAS Name: 2-amino-3-[4-[4-[(2-oxo-1,3-benzothiazol-3-yl)methyl]phenoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-[4-[(2-oxo-1,3-benzothiazol-3-yl)methyl]phenoxy]phenyl]propanoate Traditional Name: 2-amino-3-[4-[4-[(2-keto-1,3-benzothiazol-3-yl)methyl]phenoxy]phenyl]propionic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3C4=CC=CC=C4SC3=O)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3C4=CC=CC=C4SC3=O)N

InChI

InChI=1S/C24H22N2O4S/c1-29-23(27)20(25)14-16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)15-26-21-4-2-3-5-22(21)31-24(26)28/h2-13,20H,14-15,25H2,1H3