methyl 2-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 2-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(2S)-4-(methylthio)-2-ureido-butanoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(CCSC)NC(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](CCSC)NC(=O)N)C(=O)OC

InChI

InChI=1S/C19H23N3O5S/c1-11-12-6-4-5-7-13(12)21-15(16(11)18(24)26-2)10-27-17(23)14(8-9-28-3)22-19(20)25/h4-7,14H,8-10H2,1-3H3,(H3,20,22,25)/t14-/m0/s1