[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid [6-butyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C26H26N2O5S/c1-3-4-5-17-11-19-24(32-13-20(25(19)30)22-14-34-15(2)28-22)12-23(17)33-26(31)21(27)10-16-6-8-18(29)9-7-16/h6-9,11-14,21,29H,3-5,10,27H2,1-2H3