[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-2-16-8-10-17(11-9-16)19-15-29-22(23-19)24-20(25)14-27-21(26)12-13-28-18-6-4-3-5-7-18/h3-11,15H,2,12-14H2,1H3,(H,23,24,25)