(2S)-4-methylsulfanyl-2-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(2-keto-4-propyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyrate Formula: C20H24NO6S- MolecularWeight: 406.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C20H25NO6S/c1-4-5-13-10-18(22)27-17-11-14(6-7-15(13)17)26-12(2)19(23)21-16(20(24)25)8-9-28-3/h6-7,10-12,16H,4-5,8-9H2,1-3H3,(H,21,23)(H,24,25)/p-1/t12-,16-/m0/s1