[4-[[(E)-3-azanyl-3-ethylsulfanyl-prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-azanyl-3-ethylsulfanyl-prop-2-enoate

Systemtic Name: [4-[[(E)-3-azanyl-3-ethylsulfanyl-prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-azanyl-3-ethylsulfanyl-prop-2-enoate Openeye Name: [4-[[(E)-3-amino-3-ethylsulfanyl-prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-amino-3-ethylsulfanyl-prop-2-enoate CAS Name: (E)-3-amino-3-(ethylthio)-2-propenoic acid [4-[[(E)-3-amino-3-(ethylthio)-1-oxoprop-2-enoxy]methyl]phenyl]methyl ester IUPAC Name: [4-[[(E)-3-amino-3-ethylsulfanylprop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-amino-3-ethylsulfanylprop-2-enoate Traditional Name: (E)-3-amino-3-(ethylthio)acrylic acid [4-[[(E)-3-amino-3-(ethylthio)acryloyl]oxymethyl]benzyl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=CC(=O)OCC1=CC=C(C=C1)COC(=O)C=C(N)SCC)N

Isomeric SMILES

CCS/C(=C/C(=O)OCC1=CC=C(C=C1)COC(=O)/C=C(/SCC)\N)/N

InChI

InChI=1S/C18H24N2O4S2/c1-3-25-15(19)9-17(21)23-11-13-5-7-14(8-6-13)12-24-18(22)10-16(20)26-4-2/h5-10H,3-4,11-12,19-20H2,1-2H3/b15-9+,16-10+