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

Systemtic Name: methyl 4-[[1-(4-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[1-(4-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]benzoate CAS Name: 4-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate Traditional Name: 4-[[1-(4-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C19H13ClN2O4S MolecularWeight: 400.83552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H13ClN2O4S/c1-26-18(25)12-4-2-11(3-5-12)10-15-16(23)21-19(27)22(17(15)24)14-8-6-13(20)7-9-14/h2-10H,1H3,(H,21,23,27)