methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H16N2O5S/c1-24-18(23)11-6-7-13-14(8-11)20-19(27)21(17(13)22)9-12-10-25-15-4-2-3-5-16(15)26-12/h2-8,12H,9-10H2,1H3,(H,20,27)