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

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] (2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic 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)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C28H36N2O6S MolecularWeight: 528.66024

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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(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O6S/c1-8-9-10-18-12-19-24(34-14-20(25(19)31)22-15-37-17(4)29-22)13-23(18)35-26(32)21(11-16(2)3)30-27(33)36-28(5,6)7/h12-16,21H,8-11H2,1-7H3,(H,30,33)/t21-/m1/s1