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

Systemtic Name: methyl 3-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4S2/c1-13(2)8-10-24-19(26)14-6-4-5-7-15(14)23-21(24)30-12-17(25)22-16-9-11-29-18(16)20(27)28-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,22,25)