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

Systemtic Name: ethyl 3-methyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C21H21N3O4S2/c1-4-10-24-19(26)14-8-6-7-9-15(14)22-21(24)29-12-16(25)23-17-11-13(3)18(30-17)20(27)28-5-2/h4,6-9,11H,1,5,10,12H2,2-3H3,(H,23,25)