4-(2,4-dichlorophenyl)-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol

Systemtic Name: 4-(2,4-dichlorophenyl)-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Openeye Name: 4-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol CAS Name: 4-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol IUPAC Name: 4-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Traditional Name: 4-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=NC3=C(S2)C=CC(=C3)O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=NC3=C(S2)C=CC(=C3)O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C22H17Cl2NO3S/c1-28-20-8-12(2-6-19(20)27)22-11-17(15-5-3-13(23)9-16(15)24)25-18-10-14(26)4-7-21(18)29-22/h2-10,22,26-27H,11H2,1H3