7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N2O4S/c25-21-7-11-29-20-6-4-15(12-16(20)23-21)22(26)24-8-1-2-17(24)14-3-5-18-19(13-14)28-10-9-27-18/h3-6,12-13,17H,1-2,7-11H2,(H,23,25)