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

Systemtic Name: 2-cyclopropyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-cyclopropyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-cyclopropyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-cyclopropyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-cyclopropyl-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C17H15NO3S/c19-16-12-5-2-1-4-11(12)14(17(20)21)15(13-6-3-9-22-13)18(16)10-7-8-10/h1-6,9-10,14-15H,7-8H2,(H,20,21)