methyl 4-[2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CN(C(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CN(C(=C4)C(=O)OC)C

InChI

InChI=1S/C24H21ClN4O4S/c1-14-5-4-6-17(9-14)29-22(31)18-8-7-15(25)10-19(18)27-24(29)34-13-21(30)26-16-11-20(23(32)33-3)28(2)12-16/h4-12H,13H2,1-3H3,(H,26,30)