methyl 2-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC5=CC=CC=C5CC4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC5=CC=CC=C5CC4C(=O)OC

InChI

InChI=1S/C28H25N3O4S/c1-18-11-13-21(14-12-18)31-26(33)22-9-5-6-10-23(22)29-28(31)36-17-25(32)30-16-20-8-4-3-7-19(20)15-24(30)27(34)35-2/h3-14,24H,15-17H2,1-2H3