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

Systemtic Name: (2R,3R)-2-(4-ethylphenyl)-8-methyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-8-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-8-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-8-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-2-(4-ethylphenyl)-3-hydroxy-8-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19NO2S MolecularWeight: 313.41396

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-3-12-5-7-13(8-6-12)17-16(20)18(21)19-14-9-4-11(2)10-15(14)22-17/h4-10,16-17,20H,3H2,1-2H3,(H,19,21)/t16-,17+/m0/s1