[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O4S/c1-14-20-17(26-21-14)13-27-16-9-5-4-8-15(16)19(24)25-12-18(23)22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3