4-[9-chloranyl-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[9-chloranyl-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol Openeye Name: 4-[9-chloro-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol CAS Name: 4-[9-chloro-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxyphenol IUPAC Name: 4-[9-chloro-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxyphenol Traditional Name: 4-[9-chloro-4-(2,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol Formula: C22H16Cl3NO2S MolecularWeight: 464.79194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl3NO2S/c1-28-20-9-12(5-8-19(20)27)21-11-18(14-7-6-13(23)10-16(14)25)26-17-4-2-3-15(24)22(17)29-21/h2-10,21,27H,11H2,1H3