[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C18H24N2O7S/c1-3-25-18(24)20-16(22)12-27-17(23)14(9-10-28-2)19-15(21)11-26-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,19,21)(H,20,22,24)/t14-/m0/s1