ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3S/c1-2-29-22(27)20-17(24-23(28)25-21(20)16-9-4-3-5-10-16)15-26-13-8-14-30-19-12-7-6-11-18(19)26/h3-7,9-12,21H,2,8,13-15H2,1H3,(H2,24,25,28)/t21-/m1/s1