[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxidanylidene-chromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxidanylidene-chromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(3,4-dimethoxyphenyl)-4-keto-6,8-dimethyl-chromen-3-yl] ester Formula: C29H29NO8S MolecularWeight: 551.60746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(OC3=C(C=C(C=C3C2=O)C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(OC3=C(C=C(C=C3C2=O)C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H29NO8S/c1-17-6-9-21(10-7-17)39(33,34)30-13-12-25(31)37-29-26(32)22-15-18(2)14-19(3)27(22)38-28(29)20-8-11-23(35-4)24(16-20)36-5/h6-11,14-16,30H,12-13H2,1-5H3