S-[3-[3-azanyl-3-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]oxypropyl] ethanethioate

Systemtic Name: S-[3-[3-azanyl-3-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]oxypropyl] ethanethioate Openeye Name: S-[3-[3-amino-3-(2-chlorophenyl)-2-oxo-cyclohexoxy]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[3-amino-3-(2-chlorophenyl)-2-oxocyclohexyl]oxypropyl] ester IUPAC Name: S-[3-[3-amino-3-(2-chlorophenyl)-2-oxocyclohexyl]oxypropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[3-amino-3-(2-chlorophenyl)-2-keto-cyclohexoxy]propyl] ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCOC1CCCC(C1=O)(C2=CC=CC=C2Cl)N

Isomeric SMILES

CC(=O)SCCCOC1CCCC(C1=O)(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C17H22ClNO3S/c1-12(20)23-11-5-10-22-15-8-4-9-17(19,16(15)21)13-6-2-3-7-14(13)18/h2-3,6-7,15H,4-5,8-11,19H2,1H3