methyl 2-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(2-benzamidoethyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S2/c1-31-24(30)20(15-32-14-17-8-4-2-5-9-17)27-23(29)19-16-33-21(26-19)12-13-25-22(28)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,25,28)(H,27,29)