2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N2O2S2/c1-13-10-11-21(15-7-3-5-9-17(15)25-13)18(22)12-24-19-20-14-6-2-4-8-16(14)23-19/h2-9,13H,10-12H2,1H3/t13-/m0/s1