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

Systemtic Name: methyl 2-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-methyl-amino]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)N(C)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4=CC=CC=C4C(=O)OC

InChI

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