[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C20H29NO4S/c1-3-24-17-10-12-18(13-11-17)26-14-19(22)25-15(2)20(23)21-16-8-6-4-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H,21,23)/t15-/m1/s1