2-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

InChI

InChI=1S/C21H18ClN3O4S/c1-3-9-25-19(27)16-8-7-13(20(28)29)10-17(16)24-21(25)30-12(2)18(26)23-15-6-4-5-14(22)11-15/h3-8,10-12H,1,9H2,2H3,(H,23,26)(H,28,29)/t12-/m1/s1