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

Systemtic Name: ethyl 2-[7-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[benzyl(methyl)carbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-3-36-26(33)20-37-29-30-25-18-23(27(34)31(2)19-22-12-8-5-9-13-22)14-15-24(25)28(35)32(29)17-16-21-10-6-4-7-11-21/h4-15,18H,3,16-17,19-20H2,1-2H3