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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-4-19-18(25)21-15(22)11-27-17(24)13(9-10-28-3)20-16(23)12-7-5-6-8-14(12)26-2/h5-8,13H,4,9-11H2,1-3H3,(H,20,23)(H2,19,21,22,25)/t13-/m0/s1