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

Systemtic Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H23N3O3S/c1-3-24-17(22)16-12(2)19-18(23)20-13(16)11-21-9-6-10-25-15-8-5-4-7-14(15)21/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,19,20,23)/t12-/m0/s1