[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c23-19(21-12-13-28-15-16-6-2-1-3-7-16)14-27-20(24)11-10-17-8-4-5-9-18(17)22(25)26/h1-11H,12-15H2,(H,21,23)/b11-10+