[3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-ethenylbenzoate

Systemtic Name: [3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-ethenylbenzoate Openeye Name: [3-(1-methoxycarbonylpropylcarbamoylsulfanyl)-2-(methylsulfanylcarbonylamino)propyl] 4-vinylbenzoate CAS Name: 4-ethenylbenzoic acid [3-[[[(1-methoxy-1-oxobutan-2-yl)amino]-oxomethyl]thio]-2-[[(methylthio)-oxomethyl]amino]propyl] ester IUPAC Name: [3-[(1-methoxy-1-oxobutan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-ethenylbenzoate Traditional Name: 4-vinylbenzoic acid [3-(1-carbomethoxypropylcarbamoylthio)-2-[(methylthio)carbonylamino]propyl] ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC(=O)SCC(COC(=O)C1=CC=C(C=C1)C=C)NC(=O)SC

Isomeric SMILES

CCC(C(=O)OC)NC(=O)SCC(COC(=O)C1=CC=C(C=C1)C=C)NC(=O)SC

InChI

InChI=1S/C20H26N2O6S2/c1-5-13-7-9-14(10-8-13)17(23)28-11-15(21-19(25)29-4)12-30-20(26)22-16(6-2)18(24)27-3/h5,7-10,15-16H,1,6,11-12H2,2-4H3,(H,21,25)(H,22,26)