3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one

Systemtic Name: 3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Openeye Name: 3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one CAS Name: 3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one IUPAC Name: 3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Traditional Name: 3-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCC1=C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O2S/c1-22(2)13-12-16-19(14-8-10-15(24-3)11-9-14)25-18-7-5-4-6-17(18)21-20(16)23/h4-11H,12-13H2,1-3H3,(H,21,23)