methyl (3R)-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(2-methylquinazolin-4-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-14-23-18-10-6-5-9-17(18)21(24-14)29-13-20(26)25-12-16-8-4-3-7-15(16)11-19(25)22(27)28-2/h3-10,19H,11-13H2,1-2H3/t19-/m1/s1