methyl 2-[2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O4S/c1-35-26(34)23(15-18-7-3-2-4-8-18)29-24(32)17-36-27-30-22-10-6-5-9-21(22)25(33)31(27)16-19-11-13-20(28)14-12-19/h2-14,23H,15-17H2,1H3,(H,29,32)