ethyl 2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)OCC

InChI

InChI=1S/C21H23N3O4S2/c1-3-5-11-24-19(26)14-8-6-7-9-16(14)22-21(24)30-13-17(25)23-18-15(10-12-29-18)20(27)28-4-2/h6-10,12H,3-5,11,13H2,1-2H3,(H,23,25)