ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: ethyl 2-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]-3-tritylsulfanyl-propanoate CAS Name: 2-[[[2-(2-benzamidoethyl)-4-thiazolyl]-oxomethyl]amino]-3-[(triphenylmethyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate Traditional Name: 2-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]-3-(tritylthio)propionic acid ethyl ester Formula: C37H35N3O4S2 MolecularWeight: 649.8215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CSC(=N4)CCNC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CSC(=N4)CCNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H35N3O4S2/c1-2-44-36(43)32(40-35(42)31-25-45-33(39-31)23-24-38-34(41)27-15-7-3-8-16-27)26-46-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25,32H,2,23-24,26H2,1H3,(H,38,41)(H,40,42)