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

Systemtic Name: ethyl 3-(diphenylmethyl)sulfanyl-2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]propanoate Openeye Name: ethyl 3-benzhydrylsulfanyl-2-[2-(2-pyridylamino)ethoxycarbonylamino]propanoate CAS Name: 3-[(diphenylmethyl)thio]-2-[[oxo-[2-(2-pyridinylamino)ethoxy]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-benzhydrylsulfanyl-2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]propanoate Traditional Name: 3-(benzhydrylthio)-2-[2-(2-pyridylamino)ethoxycarbonylamino]propionic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCCNC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCCNC3=CC=CC=N3

InChI

InChI=1S/C26H29N3O4S/c1-2-32-25(30)22(29-26(31)33-18-17-28-23-15-9-10-16-27-23)19-34-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,22,24H,2,17-19H2,1H3,(H,27,28)(H,29,31)