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

Systemtic Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-(2-furanyl)-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-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O4S/c1-2-27-20(25)18-14(22-21(26)23-19(18)16-8-5-11-28-16)13-24-10-6-12-29-17-9-4-3-7-15(17)24/h3-5,7-9,11,19H,2,6,10,12-13H2,1H3,(H2,22,23,26)/t19-/m1/s1