(3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-2-(4-fluorobenzyl)-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C21H15FNO3S- MolecularWeight: 380.412103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@@H](N(C2=O)CC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)[O-]

InChI

InChI=1S/C21H16FNO3S/c22-14-9-7-13(8-10-14)12-23-19(17-6-3-11-27-17)18(21(25)26)15-4-1-2-5-16(15)20(23)24/h1-11,18-19H,12H2,(H,25,26)/p-1/t18-,19-/m0/s1