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

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-2-phenyl-acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylacetic 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-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate Traditional Name: 2-(tert-butoxycarbonylamino)-2-phenyl-acetic acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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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(C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O6S/c1-6-7-11-20-14-21-25(36-16-22(27(21)33)23-17-39-18(2)31-23)15-24(20)37-28(34)26(19-12-9-8-10-13-19)32-29(35)38-30(3,4)5/h8-10,12-17,26H,6-7,11H2,1-5H3,(H,32,35)