methyl 3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[bis(4-dimethylaminophenyl)methylsulfanyl]propanoate CAS Name: 3-[bis(4-dimethylaminophenyl)methylthio]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(4-dimethylaminophenyl)methylthio]propionic acid methyl ester Formula: C29H35N3O4S MolecularWeight: 521.6709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)SCC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)SCC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4S/c1-31(2)24-15-11-22(12-16-24)27(23-13-17-25(18-14-23)32(3)4)37-20-26(28(33)35-5)30-29(34)36-19-21-9-7-6-8-10-21/h6-18,26-27H,19-20H2,1-5H3,(H,30,34)