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

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-oxidanyl-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CSC=C3

Isomeric SMILES

CN(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/t15-,16+/m1/s1