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

Systemtic Name: 7-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(2-p-phenetylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H24N2O3S/c1-2-27-17-8-5-15(6-9-17)19-4-3-12-24(19)22(26)16-7-10-20-18(14-16)23-21(25)11-13-28-20/h5-10,14,19H,2-4,11-13H2,1H3,(H,23,25)