(2R,3R)-2-ethyl-3-[(1R)-1-oxidanylethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-2-ethyl-3-[(1R)-1-oxidanylethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-2-ethyl-3-[(1R)-1-hydroxyethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-2-ethyl-3-[(1R)-1-hydroxyethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-2-ethyl-3-[(1R)-1-hydroxyethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-2-ethyl-3-[(1R)-1-hydroxyethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)NC2=CC=CC=C2S1)C(C)O

Isomeric SMILES

CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2S1)[C@@H](C)O

InChI

InChI=1S/C13H17NO2S/c1-3-10-12(8(2)15)13(16)14-9-6-4-5-7-11(9)17-10/h4-8,10,12,15H,3H2,1-2H3,(H,14,16)/t8-,10-,12+/m1/s1