ethyl 5-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C22H25N3O4S2/c1-4-6-11-25-20(27)15-9-7-8-10-16(15)23-22(25)30-13-17(26)24-18-12-14(3)19(31-18)21(28)29-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H,24,26)