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

Systemtic Name: (2S,3S)-3-azanyl-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-amino-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-amino-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-amino-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-amino-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C13H12N2OS2 MolecularWeight: 276.37718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=CS3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[C@@H]([C@H](S2)C3=CC=CS3)N

InChI

InChI=1S/C13H12N2OS2/c14-11-12(10-6-3-7-17-10)18-9-5-2-1-4-8(9)15-13(11)16/h1-7,11-12H,14H2,(H,15,16)/t11-,12-/m1/s1