methyl (E)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)but-2-enoate

Systemtic Name: methyl (E)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)but-2-enoate Openeye Name: methyl (E)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)but-2-enoate CAS Name: (E)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)but-2-enoate Traditional Name: (E)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)but-2-enoic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)N1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

C/C(=C\C(=O)OC)/N1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C13H12N2O3S/c1-8(7-11(16)18-2)15-12(17)9-5-3-4-6-10(9)14-13(15)19/h3-7H,1-2H3,(H,14,19)/b8-7+