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

Systemtic Name: (2R)-4-methylsulfanyl-2-[[(2R)-2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[[(2R)-2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(2R)-1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: (2R)-2-[[(2R)-2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyrate Formula: C23H22NO6S- MolecularWeight: 440.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)[O-])OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N[C@H](CCSC)C(=O)[O-])OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO6S/c1-14(22(26)24-19(23(27)28)10-11-31-2)29-16-8-9-17-18(15-6-4-3-5-7-15)13-21(25)30-20(17)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,24,26)(H,27,28)/p-1/t14-,19-/m1/s1