(3S,4R)-1-oxidanylidene-2-phenyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-1-oxidanylidene-2-phenyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-1-oxo-2-phenyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-2-phenyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-1-oxo-2-phenyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-2-phenyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C20H15NO3S/c22-19-15-10-5-4-9-14(15)17(20(23)24)18(16-11-6-12-25-16)21(19)13-7-2-1-3-8-13/h1-12,17-18H,(H,23,24)/t17-,18-/m1/s1