methyl 4-[2-[2-(diphenylmethyl)sulfanylethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(diphenylmethyl)sulfanylethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(2-benzhydrylsulfanylacetyl)amino]ethyl]benzoate CAS Name: 4-[2-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-benzhydrylsulfanylacetyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(benzhydrylthio)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S/c1-29-25(28)22-14-12-19(13-15-22)16-17-26-23(27)18-30-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3,(H,26,27)