7-(2-phenylpyrrolidin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(2-phenylpyrrolidin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(2-phenylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-(2-phenyl-1-pyrrolidinyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(2-phenylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(2-phenylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O2S/c23-19-10-12-25-18-9-8-15(13-16(18)21-19)20(24)22-11-4-7-17(22)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,17H,4,7,10-12H2,(H,21,23)