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

Systemtic Name: (E)-but-2-enedioic acid; 8-chloranyl-2-ethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-2-ethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-chloro-2-ethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (E)-but-2-enedioic acid; 8-chloro-2-ethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-2-ethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; fumaric acid Formula: C15H16ClNO5S MolecularWeight: 357.80924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNOS.C4H4O4/c1-2-8-6-11(14)13-9-4-3-7(12)5-10(9)15-8;5-3(6)1-2-4(7)8/h3-5,8H,2,6H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+