ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S2/c1-3-29-20(26)18-16(12-30-22-24-15-6-4-5-7-17(15)31-22)23-21(27)25-19(18)13-8-10-14(28-2)11-9-13/h4-11,19H,3,12H2,1-2H3,(H2,23,25,27)