[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-14(18(21)19-15-9-5-2-3-6-10-15)22-17(20)13-23-16-11-7-4-8-12-16/h4,7-8,11-12,14-15H,2-3,5-6,9-10,13H2,1H3,(H,19,21)/t14-/m1/s1