[(2R,3R)-1-[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2R,3R)-1-[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1R,2R)-1-[6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl]oxycarbonyl-2-methyl-butyl]ammonium CAS Name: [(2R,3R)-1-[[6-butyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2R,3R)-1-[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxy-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1R,2R)-1-[6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl]oxycarbonyl-2-methyl-butyl]ammonium Formula: C23H29N2O4S+ MolecularWeight: 429.55236

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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)[NH3+]

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)[C@@H]([C@H](C)CC)[NH3+]

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/p+1/t13-,21-/m1/s1