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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)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)C1=CC=CC=C1OC

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C18H24N2O7S/c1-4-26-18(24)20-15(21)11-27-17(23)13(9-10-28-3)19-16(22)12-7-5-6-8-14(12)25-2/h5-8,13H,4,9-11H2,1-3H3,(H,19,22)(H,20,21,24)/t13-/m0/s1