[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] 2-azanylethanoate hydrochloride

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] 2-azanylethanoate hydrochloride Openeye Name: [4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenyl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenyl] ester hydrochloride IUPAC Name: [4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenyl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenyl] ester hydrochloride Formula: C22H24ClNO7S MolecularWeight: 481.94646

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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)CN)OC)OC.Cl

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)CN)OC)OC.Cl

InChI

InChI=1S/C22H23NO7S.ClH/c1-12(2)28-17-10-16-20(22(27-4)21(17)26-3)15(24)9-19(30-16)31-14-7-5-13(6-8-14)29-18(25)11-23;/h5-10,12H,11,23H2,1-4H3;1H