ethyl 5-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C21H20ClN3O4S2/c1-4-8-25-19(27)14-7-6-13(22)10-15(14)23-21(25)30-11-16(26)24-17-9-12(3)18(31-17)20(28)29-5-2/h4,6-7,9-10H,1,5,8,11H2,2-3H3,(H,24,26)