2-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O2S2- MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCC(SC3=CC=CC=C32)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CC[C@H](SC3=CC=CC=C32)C)[O-]

InChI

InChI=1S/C19H23N3O2S2/c1-3-6-14-11-17(23)21-19(20-14)25-12-18(24)22-10-9-13(2)26-16-8-5-4-7-15(16)22/h4-5,7-8,11,13H,3,6,9-10,12H2,1-2H3,(H,20,21,23)/p-1/t13-/m1/s1