[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-4-25-18(24)20-15(21)11-26-17(23)14(8-9-27-3)19-16(22)13-7-5-6-12(2)10-13/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,19,22)(H,20,21,24)/t14-/m1/s1