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

Systemtic Name: 7-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione CAS Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 7-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-quinone Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S/c1-22(2)10-11-23-16-12-14(21)6-9-17(16)27-19(18(24)20(23)25)13-4-7-15(26-3)8-5-13/h4-9,12,19H,10-11H2,1-3H3