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

Systemtic Name: 2-methoxyethyl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(piperonyloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCCOC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCCOC)C

InChI

InChI=1S/C25H27N3O6S/c1-4-28-15(2)21(24(30)32-11-10-31-3)22(27-25(28)35)16-6-5-7-18(12-16)26-23(29)17-8-9-19-20(13-17)34-14-33-19/h5-9,12-13,22H,4,10-11,14H2,1-3H3,(H,26,29)(H,27,35)