methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H20ClN3O4S/c1-4-9-26-20(28)16-8-7-15(23)11-18(16)25-22(26)31-12-19(27)24-17-10-14(21(29)30-3)6-5-13(17)2/h4-8,10-11H,1,9,12H2,2-3H3,(H,24,27)