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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-[(3-chlorophenyl)carbamoyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3-chloroanilino)-oxomethyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-[(3-chlorophenyl)carbamoyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-[(3-chlorophenyl)carbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O4S/c1-2-34-23(31)16-35-26-29-22-13-18(24(32)28-20-10-6-9-19(27)14-20)11-12-21(22)25(33)30(26)15-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,28,32)