dimethyl-[2-[(2S,3S)-3-oxidanyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(2S,3S)-3-oxidanyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]azanium Openeye Name: 2-[(2S,3S)-3-hydroxy-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S,3S)-3-hydroxy-4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S,3S)-3-hydroxy-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S,3S)-3-hydroxy-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium Formula: C17H21N2O2S2+ MolecularWeight: 349.49084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CSC=C3

Isomeric SMILES

C[NH+](C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CSC=C3

InChI

InChI=1S/C17H20N2O2S2/c1-18(2)8-9-19-13-5-3-4-6-14(13)23-16(15(20)17(19)21)12-7-10-22-11-12/h3-7,10-11,15-16,20H,8-9H2,1-2H3/p+1/t15-,16+/m1/s1