methyl (2S)-4-methylsulfanyl-2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]butanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(prop-2-ynyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]butanoate Traditional Name: (2S)-2-[carbobenzoxy(propargyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC#C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)N(CC#C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21NO4S/c1-4-11-18(15(10-12-23-3)16(19)21-2)17(20)22-13-14-8-6-5-7-9-14/h1,5-9,15H,10-13H2,2-3H3/t15-/m0/s1