ethyl 3-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-4-(methylthio)-2-ureido-butanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H22N2O6S/c1-3-24-17(22)15-12(11-6-4-5-7-14(11)26-15)10-25-16(21)13(8-9-27-2)20-18(19)23/h4-7,13H,3,8-10H2,1-2H3,(H3,19,20,23)/t13-/m0/s1