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

Systemtic Name: methyl 3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-3-21-16(23)11-6-4-5-7-12(11)20-18(21)27-10-14(22)19-13-8-9-26-15(13)17(24)25-2/h4-9H,3,10H2,1-2H3,(H,19,22)