(3S)-2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-[2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-[2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C28H23N2O4S- MolecularWeight: 483.55822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4S/c1-34-21-11-12-22-23(18-7-3-2-4-8-18)15-26(29-24(22)14-21)35-17-27(31)30-16-20-10-6-5-9-19(20)13-25(30)28(32)33/h2-12,14-15,25H,13,16-17H2,1H3,(H,32,33)/p-1/t25-/m0/s1