methyl (2S)-2-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(3S)-6-chlorochromane-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-6-chlorochroman-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20ClNO4S MolecularWeight: 357.8523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C16H20ClNO4S/c1-21-16(20)13(5-6-23-2)18-15(19)11-7-10-8-12(17)3-4-14(10)22-9-11/h3-4,8,11,13H,5-7,9H2,1-2H3,(H,18,19)/t11-,13-/m0/s1