7-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O2S2/c26-20-9-11-28-18-8-7-14(12-17(18)23-20)22(27)25-10-3-4-15(13-25)21-24-16-5-1-2-6-19(16)29-21/h1-2,5-8,12,15H,3-4,9-11,13H2,(H,23,26)/t15-/m0/s1