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

Systemtic Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,4-dimethoxyanilino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O6S/c1-4-38-26(33)18-39-29-31-23-16-20(27(34)30-21-11-13-24(36-2)25(17-21)37-3)10-12-22(23)28(35)32(29)15-14-19-8-6-5-7-9-19/h5-13,16-17H,4,14-15,18H2,1-3H3,(H,30,34)