[cyano(ethoxycarbothioylsulfanyl)methyl] benzoate

Systemtic Name: [cyano(ethoxycarbothioylsulfanyl)methyl] benzoate Openeye Name: [cyano(ethoxycarbothioylsulfanyl)methyl] benzoate CAS Name: benzoic acid [cyano-[[ethoxy(sulfanylidene)methyl]thio]methyl] ester IUPAC Name: [cyano(ethoxycarbothioylsulfanyl)methyl] benzoate Traditional Name: benzoic acid [cyano-(ethoxycarbothioylthio)methyl] ester Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C#N)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=S)SC(C#N)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H11NO3S2/c1-2-15-12(17)18-10(8-13)16-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3