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

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

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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=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CS4

InChI

InChI=1S/C18H18N2O2S2/c21-17-7-10-24-15-6-5-12(11-13(15)19-17)18(22)20-8-1-3-14(20)16-4-2-9-23-16/h2,4-6,9,11,14H,1,3,7-8,10H2,(H,19,21)