methyl 2-[2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-keto-3-[2-(4-methoxyphenyl)ethyl]quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H25N3O5S/c1-34-19-13-11-18(12-14-19)15-16-30-25(32)20-7-3-5-9-22(20)29-27(30)36-17-24(31)28-23-10-6-4-8-21(23)26(33)35-2/h3-14H,15-17H2,1-2H3,(H,28,31)