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

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-3-methyl-pentanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] (2R)-2-amino-3-methyl-pentanoate CAS Name: (2R)-2-amino-3-methylpentanoic 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] (2R)-2-amino-3-methylpentanoate Traditional Name: (2R)-2-amino-3-methyl-valeric acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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(C(C)CC)N

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)[C@@H](C(C)CC)N

InChI

InChI=1S/C23H28N2O4S/c1-5-7-8-15-9-16-20(10-19(15)29-23(27)21(24)13(3)6-2)28-11-17(22(16)26)18-12-30-14(4)25-18/h9-13,21H,5-8,24H2,1-4H3/t13?,21-/m1/s1