ethyl (4R)-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O3S3 MolecularWeight: 485.64202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H23N3O3S3/c1-4-29-21(27)19-13(2)24-22(30)26-20(19)14-9-10-17(28-3)15(11-14)12-31-23-25-16-7-5-6-8-18(16)32-23/h5-11,20H,4,12H2,1-3H3,(H2,24,26,30)/t20-/m1/s1