ethyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-(phenylthio)propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O3S2/c1-3-21-15(20)14-11(2)17-16(23-14)18-13(19)9-10-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)