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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C21H20ClN3O4S2/c1-5-8-25-19(27)14-7-6-13(22)9-15(14)23-21(25)30-10-16(26)24-18-17(20(28)29-4)11(2)12(3)31-18/h5-7,9H,1,8,10H2,2-4H3,(H,24,26)