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

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-oxidanyl-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one; ethanedioic acid Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2O2S2.C2H2O4/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;3-1(4)2(5)6/h3-7,10-11,15-16,20H,8-9H2,1-2H3;(H,3,4)(H,5,6)/t15-,16+;/m1./s1