methyl (2R)-2-[[(2R)-2-(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(6-ethyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-2-[(6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-2-(6-ethyl-2-keto-4-methyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)O[C@H](C)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C21H27NO6S/c1-6-14-10-15-12(2)9-19(23)28-18(15)11-17(14)27-13(3)20(24)22-16(7-8-29-5)21(25)26-4/h9-11,13,16H,6-8H2,1-5H3,(H,22,24)/t13-,16-/m1/s1