methyl 4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H12N2O5S/c1-23-16(22)10-4-2-9(3-5-10)13-7-6-11(24-13)8-12-14(20)18-17(25)19-15(12)21/h2-8H,1H3,(H2,18,19,20,21,25)