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

Systemtic Name: methyl 2-[2-[3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[3-(3-methoxy-3-oxo-propyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[3-(3-methoxy-3-oxopropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3-methoxy-3-oxopropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[[4-keto-3-(3-keto-3-methoxy-propyl)quinazolin-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

InChI

InChI=1S/C25H25N3O6S/c1-33-22(30)11-12-27-23(31)18-9-5-6-10-19(18)26-25(27)35-15-21(29)28-14-17-8-4-3-7-16(17)13-20(28)24(32)34-2/h3-10,20H,11-15H2,1-2H3