1-oxidanylidene-2-propyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-propyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 1-oxo-2-propyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 1-oxo-2-propyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 1-oxo-2-propyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-propyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CS3

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H17NO3S/c1-2-9-18-15(13-8-5-10-22-13)14(17(20)21)11-6-3-4-7-12(11)16(18)19/h3-8,10,14-15H,2,9H2,1H3,(H,20,21)