2-(3-chloranyl-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-3-oxidanyl-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-3-oxidanyl-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(3-chloro-4-methoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=CC=C3)SC(C(C1=O)O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=CC=C3)SC(C(C1=O)O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H27ClN2O4S/c1-28(2)13-14-29-21-11-10-19(33-18-7-5-4-6-8-18)16-23(21)34-25(24(30)26(29)31)17-9-12-22(32-3)20(27)15-17/h4-12,15-16,24-25,30H,13-14H2,1-3H3