ethyl 3-(diphenylmethyl)sulfanyl-2-[2-(pyridin-2-ylamino)propoxycarbonylamino]propanoate

Systemtic Name: ethyl 3-(diphenylmethyl)sulfanyl-2-[2-(pyridin-2-ylamino)propoxycarbonylamino]propanoate Openeye Name: ethyl 3-benzhydrylsulfanyl-2-[2-(2-pyridylamino)propoxycarbonylamino]propanoate CAS Name: 3-[(diphenylmethyl)thio]-2-[[oxo-[2-(2-pyridinylamino)propoxy]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-benzhydrylsulfanyl-2-[2-(pyridin-2-ylamino)propoxycarbonylamino]propanoate Traditional Name: 3-(benzhydrylthio)-2-[2-(2-pyridylamino)propoxycarbonylamino]propionic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCC(C)NC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCC(C)NC3=CC=CC=N3

InChI

InChI=1S/C27H31N3O4S/c1-3-33-26(31)23(30-27(32)34-18-20(2)29-24-16-10-11-17-28-24)19-35-25(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-17,20,23,25H,3,18-19H2,1-2H3,(H,28,29)(H,30,32)