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

Systemtic Name: 7-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H24N2O4S/c1-27-15-6-7-19(28-2)16(13-15)18-4-3-10-24(18)22(26)14-5-8-20-17(12-14)23-21(25)9-11-29-20/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,23,25)