ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-3-cyclohexyl-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[(3-chlorophenyl)methylamino]-oxomethyl]-3-cyclohexyl-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-3-cyclohexyl-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3-chlorobenzyl)carbamoyl]-3-cyclohexyl-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1C4CCCCC4

InChI

InChI=1S/C26H28ClN3O4S/c1-2-34-23(31)16-35-26-29-22-14-18(24(32)28-15-17-7-6-8-19(27)13-17)11-12-21(22)25(33)30(26)20-9-4-3-5-10-20/h6-8,11-14,20H,2-5,9-10,15-16H2,1H3,(H,28,32)