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

Systemtic Name: methyl 3-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C27H25N3O4S/c1-4-18-10-13-20(14-11-18)30-25(32)21-7-5-6-8-22(21)29-27(30)35-16-24(31)28-23-15-19(26(33)34-3)12-9-17(23)2/h5-15H,4,16H2,1-3H3,(H,28,31)