methyl 3-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-16-12-13-19(26(33)34-4)14-22(16)28-23(31)15-35-27-29-21-11-6-5-10-20(21)25(32)30(27)24-17(2)8-7-9-18(24)3/h5-14H,15H2,1-4H3,(H,28,31)