ethyl 4-phenyl-2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-phenyl-2-(4-phenylsulfanylbutanoylamino)thiazole-5-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-phenyl-2-[4-(phenylthio)butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSC2=CC=CC=C2)C3=CC=CC=C3

InChI

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