1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-prop-1-enyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-prop-1-enyl]phenyl]-2-pyrrolidone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C=CC(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)/C=C/C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O2S/c25-21-7-3-14-23(21)18-11-8-17(9-12-18)10-13-22(26)24-15-4-16-27-20-6-2-1-5-19(20)24/h1-2,5-6,8-13H,3-4,7,14-16H2/b13-10+