methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylate

Systemtic Name: methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylate Openeye Name: methyl 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-6-carboxylate CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinoline-6-carboxylate Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-6-carboxylic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CS3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CS3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N2O5S/c1-15(2)14-27-19(13-26-24(30)32-25(3,4)5)21(20-8-7-11-33-20)18-12-16(23(29)31-6)9-10-17(18)22(27)28/h7-12,15H,13-14H2,1-6H3,(H,26,30)