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

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

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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(21-11-12-28-15-17-5-2-1-3-6-17)14-27-20(24)10-9-16-7-4-8-18(13-16)22(25)26/h1-10,13H,11-12,14-15H2,(H,21,23)/b10-9+