(2S)-2-[[(2R)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2R)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2R)-2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyrate Formula: C20H24NO6S- MolecularWeight: 406.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C20H25NO6S/c1-5-13-10-17(22)27-18-11(2)16(7-6-14(13)18)26-12(3)19(23)21-15(20(24)25)8-9-28-4/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,23)(H,24,25)/p-1/t12-,15+/m1/s1