3-azanyl-4-[4-(5-ethoxy-6-methoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 3-azanyl-4-[4-(5-ethoxy-6-methoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 3-amino-4-[4-(5-ethoxy-7-isopropoxy-6-methoxy-4-oxo-chromen-2-yl)sulfanylphenoxy]-4-oxo-butanoic acid hydrochloride CAS Name: 3-amino-4-[4-[(5-ethoxy-6-methoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenoxy]-4-oxobutanoic acid hydrochloride IUPAC Name: 3-amino-4-[4-(5-ethoxy-6-methoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenoxy]-4-oxobutanoic acid hydrochloride Traditional Name: 3-amino-4-[4-[(5-ethoxy-7-isopropoxy-4-keto-6-methoxy-chromen-2-yl)thio]phenoxy]-4-keto-butyric acid hydrochloride Formula: C25H28ClNO9S MolecularWeight: 554.00912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1OC)OC(C)C)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)C(CC(=O)O)N.Cl

Isomeric SMILES

CCOC1=C2C(=CC(=C1OC)OC(C)C)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)C(CC(=O)O)N.Cl

InChI

InChI=1S/C25H27NO9S.ClH/c1-5-32-24-22-17(27)11-21(35-18(22)12-19(23(24)31-4)33-13(2)3)36-15-8-6-14(7-9-15)34-25(30)16(26)10-20(28)29;/h6-9,11-13,16H,5,10,26H2,1-4H3,(H,28,29);1H