2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate Openeye Name: 3-allyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylate IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylate Traditional Name: 3-allyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylate Formula: C22H18N3O6S- MolecularWeight: 452.45982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19N3O6S/c1-2-7-25-20(27)15-5-3-13(21(28)29)10-16(15)24-22(25)32-12-19(26)23-14-4-6-17-18(11-14)31-9-8-30-17/h2-6,10-11H,1,7-9,12H2,(H,23,26)(H,28,29)/p-1