ethyl 6-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(piperonyloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C23H23N3O5S/c1-4-29-22(28)19-13(2)26(3)23(32)25-20(19)14-5-8-16(9-6-14)24-21(27)15-7-10-17-18(11-15)31-12-30-17/h5-11,20H,4,12H2,1-3H3,(H,24,27)(H,25,32)