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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H14N2O5S/c1-25-15-10-11(9-13-16(22)20-19(27)21-17(13)23)7-8-14(15)26-18(24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,20,21,22,23,27)