methyl (2S)-2-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenoxy]carbonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenoxy]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenoxy]carbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenoxy]carbonylamino]-4-(methylthio)butyric acid methyl ester Formula: C27H31NO9S2 MolecularWeight: 577.66634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)NC(CCSC)C(=O)OC)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N[C@@H](CCSC)C(=O)OC)OC)OC

InChI

InChI=1S/C27H31NO9S2/c1-15(2)35-21-14-20-23(25(33-4)24(21)32-3)19(29)13-22(37-20)39-17-9-7-16(8-10-17)36-27(31)28-18(11-12-38-6)26(30)34-5/h7-10,13-15,18H,11-12H2,1-6H3,(H,28,31)/t18-/m0/s1