methyl 3-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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