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

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-6-carboxylic acid CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-6-isoquinolinecarboxylic acid IUPAC Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinoline-6-carboxylic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-6-carboxylic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-14(2)13-26-18(12-25-23(30)31-24(3,4)5)20(19-7-6-10-32-19)17-11-15(22(28)29)8-9-16(17)21(26)27/h6-11,14H,12-13H2,1-5H3,(H,25,30)(H,28,29)