methyl 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-3-6-15-11(16)9-5-4-8(12(17)18-2)7-10(9)14-13(15)19/h3-5,7H,1,6H2,2H3,(H,14,19)