4-oxidanylidene-2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-(2-thienylmethyl)-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-(2-thenyl)-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C14H10N2O3S2 MolecularWeight: 318.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

C1=CSC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

InChI

InChI=1S/C14H10N2O3S2/c17-12-10-4-3-8(13(18)19)6-11(10)15-14(20)16(12)7-9-2-1-5-21-9/h1-6H,7H2,(H,15,20)(H,18,19)