actinium; 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: actinium; 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: actinium; 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: actinium; 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: actinium; 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: actinium; 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C20H24AcN2O3S MolecularWeight: 599.508907

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.[Ac]

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.[Ac]

InChI

InChI=1S/C20H24N2O3S.Ac/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;