[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-3-16-8-10-17(11-9-16)12-13-22(26)27-15-21(25)24(2)14-20-23-18-6-4-5-7-19(18)28-20/h4-11H,3,12-15H2,1-2H3