methyl 6-(4-chloranyl-3-nitro-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(4-chloranyl-3-nitro-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-chloro-3-nitro-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chloro-3-nitrophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-chloro-3-nitrophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chloro-3-nitro-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H18ClN3O6S MolecularWeight: 475.90212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H18ClN3O6S/c1-11-18(20(26)29-2)19(12-3-5-14(22)15(9-12)25(27)28)23-21(32)24(11)13-4-6-16-17(10-13)31-8-7-30-16/h3-6,9-10,19H,7-8H2,1-2H3,(H,23,32)