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

Systemtic Name: 7-(2-thiophen-3-ylpyrrolidin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[2-(3-thienyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(2-thiophen-3-ylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[2-(3-thienyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H18N2O2S2 MolecularWeight: 358.47772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c21-17-6-9-24-16-4-3-12(10-14(16)19-17)18(22)20-7-1-2-15(20)13-5-8-23-11-13/h3-5,8,10-11,15H,1-2,6-7,9H2,(H,19,21)