[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H23NO4S/c1-2-25-17-10-12-18(13-11-17)27-14-19(23)26-20(15-6-4-3-5-7-15)21(24)22-16-8-9-16/h3-7,10-13,16,20H,2,8-9,14H2,1H3,(H,22,24)/t20-/m0/s1