(2S,3S)-3-oxidanyl-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-3-oxidanyl-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-hydroxy-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-2-(3-thiophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-hydroxy-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C13H11NO2S2 MolecularWeight: 277.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CSC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[C@@H]([C@@H](S2)C3=CSC=C3)O

InChI

InChI=1S/C13H11NO2S2/c15-11-12(8-5-6-17-7-8)18-10-4-2-1-3-9(10)14-13(11)16/h1-7,11-12,15H,(H,14,16)/t11-,12+/m1/s1