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

Systemtic Name: ethyl 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O3S/c1-2-23-16(21)12-10-18-17(22)19-13(12)11-20-8-5-9-24-15-7-4-3-6-14(15)20/h3-4,6-7H,2,5,8-11H2,1H3,(H2,18,19,22)