(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H22N2O5S/c1-12(2)6-7-21-20-22-16(11-28-20)19(24)26-10-13-8-18(23)27-17-9-14(25-3)4-5-15(13)17/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,22)