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

Systemtic Name: 3-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one Openeye Name: 3-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one CAS Name: 3-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one IUPAC Name: 3-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one Traditional Name: 3-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(=C(C1=O)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(=C(C1=O)Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21ClN2O2S/c1-22(2)12-13-23-16-6-4-5-7-17(16)26-19(18(21)20(23)24)14-8-10-15(25-3)11-9-14/h4-11H,12-13H2,1-3H3