(4E)-4-(pyrrolidin-1-ylmethylidene)-2,3-dihydro-1-benzothiepin-5-one

Systemtic Name: (4E)-4-(pyrrolidin-1-ylmethylidene)-2,3-dihydro-1-benzothiepin-5-one Openeye Name: (4E)-4-(pyrrolidin-1-ylmethylene)-2,3-dihydro-1-benzothiepin-5-one CAS Name: (4E)-4-(1-pyrrolidinylmethylidene)-2,3-dihydro-1-benzothiepin-5-one IUPAC Name: (4E)-4-(pyrrolidin-1-ylmethylidene)-2,3-dihydro-1-benzothiepin-5-one Traditional Name: (4E)-4-(pyrrolidinomethylene)-2,3-dihydro-1-benzothiepin-5-one Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C=C2CCSC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCN(C1)/C=C/2\CCSC3=CC=CC=C3C2=O

InChI

InChI=1S/C15H17NOS/c17-15-12(11-16-8-3-4-9-16)7-10-18-14-6-2-1-5-13(14)15/h1-2,5-6,11H,3-4,7-10H2/b12-11+