methyl 4-methyl-3-[2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C25H22N4O4S/c1-15-10-11-26-21(12-15)29-23(31)18-6-4-5-7-19(18)28-25(29)34-14-22(30)27-20-13-17(24(32)33-3)9-8-16(20)2/h4-13H,14H2,1-3H3,(H,27,30)