S-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-phenyl]methyl] ethanethioate

Systemtic Name: S-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-phenyl]methyl] ethanethioate Openeye Name: S-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methyl] ester IUPAC Name: S-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2-amino-2-keto-ethoxy)-3-chloro-benzyl] ester Formula: C11H12ClNO3S MolecularWeight: 273.73588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=C(C=C1)OCC(=O)N)Cl

Isomeric SMILES

CC(=O)SCC1=CC(=C(C=C1)OCC(=O)N)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-7(14)17-6-8-2-3-10(9(12)4-8)16-5-11(13)15/h2-4H,5-6H2,1H3,(H2,13,15)