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

Systemtic Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2O4S/c1-3-26-21(25)19-14(2)24(16-7-5-4-6-8-16)22(29)23-20(19)15-9-10-17-18(13-15)28-12-11-27-17/h4-10,13,20H,3,11-12H2,1-2H3,(H,23,29)/t20-/m0/s1