methyl 3-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S2/c1-12(2)10-23-18(25)13-6-4-5-7-14(13)22-20(23)29-11-16(24)21-15-8-9-28-17(15)19(26)27-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)