S-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ethanethioate

Systemtic Name: S-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ethanethioate Openeye Name: S-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[5-[anilino(oxo)methyl]-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ester IUPAC Name: S-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl] ester Formula: C14H15NO3S2 MolecularWeight: 309.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(SCCO1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC1=C(SCCO1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H15NO3S2/c1-10(16)20-9-12-13(19-8-7-18-12)14(17)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,17)