(E)-but-2-enedioic acid; 8-chloranyl-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (E)-but-2-enedioic acid; 8-chloranyl-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-chloro-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (E)-but-2-enedioic acid; 8-chloro-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-2-(2-dimethylaminoethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one; fumaric acid Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CC(=O)NC2=C(S1)C=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC1CC(=O)NC2=C(S1)C=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17ClN2OS.C4H4O4/c1-16(2)6-5-10-8-13(17)15-11-4-3-9(14)7-12(11)18-10;5-3(6)1-2-4(7)8/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1+