2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-3-carboxylic acid CAS Name: 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-yl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-ylisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-3-carboxylic acid Formula: C25H23NO4S MolecularWeight: 433.51942

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-16(2)14-26-23(25(28)29)22(21-9-6-12-31-21)20-13-18(10-11-19(20)24(26)27)30-15-17-7-4-3-5-8-17/h3-13,16H,14-15H2,1-2H3,(H,28,29)