methyl 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinoline-3-carboxylate Openeye Name: methyl 6-benzyloxy-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-3-carboxylate CAS Name: 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-yl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-ylisoquinoline-3-carboxylate Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C26H25NO4S/c1-17(2)15-27-24(26(29)30-3)23(22-10-7-13-32-22)21-14-19(11-12-20(21)25(27)28)31-16-18-8-5-4-6-9-18/h4-14,17H,15-16H2,1-3H3