(2S,3S)-8-chloranyl-2-(4-hydroxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-8-chloranyl-2-(4-hydroxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C15H12ClNO3S MolecularWeight: 321.77868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)NC3=C(S2)C=C(C=C3)Cl)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO3S/c16-9-3-6-11-12(7-9)21-14(13(19)15(20)17-11)8-1-4-10(18)5-2-8/h1-7,13-14,18-19H,(H,17,20)/t13-,14+/m1/s1