2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-[benzyl(phenethyl)amino]-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl]thio]butanedioic acid IUPAC Name: 2-[2-[benzyl(phenethyl)amino]-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-[benzyl(phenethyl)amino]-2-keto-ethyl]thio]succinic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO5S/c23-19(15-28-18(21(26)27)13-20(24)25)22(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,24,25)(H,26,27)