[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-keto-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC(=O)NC1=CC(=CC=C1)OC)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C)CC(=O)NC1=CC(=CC=C1)OC)SC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-15(29-18-10-5-4-6-11-18)21(26)28-14-20(25)23(2)13-19(24)22-16-8-7-9-17(12-16)27-3/h4-12,15H,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1