ethyl 3-[4-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoate Openeye Name: ethyl 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoate CAS Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoate Traditional Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propionic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)NC2=NC3=C(S2)C(=C(C(=C3C)C)O)C

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)NC2=NC3=C(S2)C(=C(C(=C3C)C)O)C

InChI

InChI=1S/C21H24N2O3S/c1-5-26-17(24)11-8-15-6-9-16(10-7-15)22-21-23-18-12(2)13(3)19(25)14(4)20(18)27-21/h6-7,9-10,25H,5,8,11H2,1-4H3,(H,22,23)