S-azanyl 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbothioate

Systemtic Name: S-azanyl 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbothioate Openeye Name: S-amino 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-isoquinoline-6-carbothioate CAS Name: 4-butoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbothioic acid S-amino ester IUPAC Name: S-amino 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbothioate Traditional Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-isoquinoline-6-carbothioic acid S-amino ester Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)SN)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)SN)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H35N3O5S/c1-7-8-11-31-20-18-12-16(22(29)33-25)9-10-17(18)21(28)27(14-15(2)3)19(20)13-26-23(30)32-24(4,5)6/h9-10,12,15H,7-8,11,13-14,25H2,1-6H3,(H,26,30)