ethyl 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H24N2O4S/c1-3-26-21(25)15-8-10-17(11-9-15)27-14-16(24)12-23(2)13-20-22-18-6-4-5-7-19(18)28-20/h4-11,16,24H,3,12-14H2,1-2H3