(2R,3R)-2-(4-ethylphenyl)-7,8-dimethyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-2-(4-ethylphenyl)-7,8-dimethyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C(=C3)C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C=C(C(=C3)C)C)O

InChI

InChI=1S/C19H21NO2S/c1-4-13-5-7-14(8-6-13)18-17(21)19(22)20-15-9-11(2)12(3)10-16(15)23-18/h5-10,17-18,21H,4H2,1-3H3,(H,20,22)/t17-,18+/m0/s1