7-chloranyl-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione

Systemtic Name: 7-chloranyl-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione CAS Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-quinone Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=CC(=C2)Cl)SC(C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=CC(=C2)Cl)SC(C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-24(2)8-9-25-15-12-14(23)6-7-18(15)31-21(19(26)22(25)27)13-10-16(28-3)20(30-5)17(11-13)29-4/h6-7,10-12,21H,8-9H2,1-5H3