2-(4-methoxyphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(4-methoxyphenyl)-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-keto-2-pyrrolidino-ethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)N4CCCC4

InChI

InChI=1S/C22H24N2O3S/c1-27-17-10-8-16(9-11-17)20-14-21(25)24(15-22(26)23-12-4-5-13-23)18-6-2-3-7-19(18)28-20/h2-3,6-11,20H,4-5,12-15H2,1H3