O-tert-butyl N-[12-ethyl-8-methyl-9-oxidanylidene-7-(1-oxidanylpropyl)-11H-indolizino[1,2-b]quinolin-2-yl]carbamothioate

Systemtic Name: O-tert-butyl N-[12-ethyl-8-methyl-9-oxidanylidene-7-(1-oxidanylpropyl)-11H-indolizino[1,2-b]quinolin-2-yl]carbamothioate Openeye Name: O-tert-butyl N-[12-ethyl-7-(1-hydroxypropyl)-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl]carbamothioate CAS Name: N-[12-ethyl-7-(1-hydroxypropyl)-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl]carbamothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl N-[12-ethyl-7-(1-hydroxypropyl)-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl]carbamothioate Traditional Name: N-[12-ethyl-7-(1-hydroxypropyl)-9-keto-8-methyl-11H-indolizino[1,2-b]quinolin-2-yl]thiocarbamic acid O-tert-butyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)C)C(CC)O)NC(=S)OC(C)(C)C

Isomeric SMILES

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)C)C(CC)O)NC(=S)OC(C)(C)C

InChI

InChI=1S/C26H31N3O3S/c1-7-16-18-11-15(27-25(33)32-26(4,5)6)9-10-20(18)28-23-19(16)13-29-21(23)12-17(22(30)8-2)14(3)24(29)31/h9-12,22,30H,7-8,13H2,1-6H3,(H,27,33)