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

Systemtic Name: methyl 3-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-20-15(22)10-5-3-4-6-11(10)19-17(20)26-9-13(21)18-12-7-8-25-14(12)16(23)24-2/h3-8H,9H2,1-2H3,(H,18,21)