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

Systemtic Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S2/c1-4-30-21(27)19-13(2)24-22(28)26-20(19)14-9-10-17(29-3)15(11-14)12-31-23-25-16-7-5-6-8-18(16)32-23/h5-11,20H,4,12H2,1-3H3,(H2,24,26,28)