[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H19NO3S2/c20-17(12-22-18(21)7-6-16-8-10-23-14-16)19-9-11-24-13-15-4-2-1-3-5-15/h1-8,10,14H,9,11-13H2,(H,19,20)/b7-6+