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

Systemtic Name: 7-chloranyl-2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 7-chloro-2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-1,5-benzothiazepine-3,4-dione CAS Name: 7-chloro-2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 7-chloro-2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 7-chloro-2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-1,5-benzothiazepine-3,4-quinone Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-23(2)9-10-24-15-12-14(22)6-8-18(15)29-20(19(25)21(24)26)13-5-7-16(27-3)17(11-13)28-4/h5-8,11-12,20H,9-10H2,1-4H3