ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,4-dimethoxyanilino)-oxomethyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-[(3,4-dimethoxyphenyl)carbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H27N3O6S MolecularWeight: 533.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6S/c1-4-37-25(32)17-38-28-30-22-14-19(26(33)29-20-11-13-23(35-2)24(15-20)36-3)10-12-21(22)27(34)31(28)16-18-8-6-5-7-9-18/h5-15H,4,16-17H2,1-3H3,(H,29,33)