ethyl 4-phenyl-2-[4-(phenylmethylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[4-(phenylmethylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(4-benzylsulfanylbutanoylamino)-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanylbutanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(benzylthio)butanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S2/c1-2-28-22(27)21-20(18-12-7-4-8-13-18)25-23(30-21)24-19(26)14-9-15-29-16-17-10-5-3-6-11-17/h3-8,10-13H,2,9,14-16H2,1H3,(H,24,25,26)