[4-(5,6-dimethoxy-4-oxidanylidene-7-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 2-azanylethanoate hydrochloride

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 2-azanylethanoate hydrochloride Openeye Name: [4-[7-(1-ethylpropoxy)-5,6-dimethoxy-4-oxo-chromen-2-yl]sulfanylphenyl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [4-[(5,6-dimethoxy-4-oxo-7-pentan-3-yloxy-1-benzopyran-2-yl)thio]phenyl] ester hydrochloride IUPAC Name: [4-(5,6-dimethoxy-4-oxo-7-pentan-3-yloxychromen-2-yl)sulfanylphenyl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [4-[[7-(1-ethylpropoxy)-4-keto-5,6-dimethoxy-chromen-2-yl]thio]phenyl] ester hydrochloride Formula: C24H28ClNO7S MolecularWeight: 509.99962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO7S.ClH/c1-5-14(6-2)30-19-12-18-22(24(29-4)23(19)28-3)17(26)11-21(32-18)33-16-9-7-15(8-10-16)31-20(27)13-25;/h7-12,14H,5-6,13,25H2,1-4H3;1H