4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol

Systemtic Name: 4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Openeye Name: 4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol CAS Name: 4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol IUPAC Name: 4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Traditional Name: 4-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-7-ol Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=C(C=C(C=C2)O)N=C1C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(SC2=C(C=C(C=C2)O)N=C1C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14Cl2N2O3S/c22-13-3-7-16(17(23)9-13)18-11-21(12-1-4-14(5-2-12)25(27)28)29-20-8-6-15(26)10-19(20)24-18/h1-10,21,26H,11H2