(2R,3R)-9-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-9-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-9-chloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-9-chloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-9-chloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-9-chloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C(=CC=C3)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C(=CC=C3)Cl)O

InChI

InChI=1S/C16H14ClNO3S/c1-21-10-7-5-9(6-8-10)14-13(19)16(20)18-12-4-2-3-11(17)15(12)22-14/h2-8,13-14,19H,1H3,(H,18,20)/t13-,14+/m0/s1