7-chloranyl-5-[3-(dimethylamino)propyl]-3-oxidanyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; ethanedioic acid

Systemtic Name: 7-chloranyl-5-[3-(dimethylamino)propyl]-3-oxidanyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; ethanedioic acid Openeye Name: 7-chloro-5-[3-(dimethylamino)propyl]-3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid CAS Name: 7-chloro-5-[3-(dimethylamino)propyl]-3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid IUPAC Name: 7-chloro-5-[3-(dimethylamino)propyl]-3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid Traditional Name: 7-chloro-5-[3-(dimethylamino)propyl]-3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one; oxalic acid Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC(C(C1=O)O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC(C(C1=O)O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23ClN2O2S.C2H2O4/c1-22(2)11-6-12-23-16-13-15(21)9-10-17(16)26-19(18(24)20(23)25)14-7-4-3-5-8-14;3-1(4)2(5)6/h3-5,7-10,13,18-19,24H,6,11-12H2,1-2H3;(H,3,4)(H,5,6)