4-[(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate

Systemtic Name: 4-[(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate Openeye Name: 4-[(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate CAS Name: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate IUPAC Name: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate Traditional Name: 4-[(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoate Formula: C17H11N2O5S- MolecularWeight: 355.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c20-15-11-5-13-14(24-8-23-13)6-12(11)18-17(25)19(15)7-9-1-3-10(4-2-9)16(21)22/h1-6H,7-8H2,(H,18,25)(H,21,22)/p-1