[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C13H14N2O4S/c14-11(16)8-15-12(17)9-19-13(18)6-7-20-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,14,16)(H,15,17)/b7-6+