methyl 2-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14-7-9-15(10-8-14)12-24-20(27)16-5-3-4-6-17(16)23-21(24)29-13-18(25)22-11-19(26)28-2/h3-10H,11-13H2,1-2H3,(H,22,25)