ethyl 4-(1,3-benzothiazol-2-ylsulfanylamino)-3,5-bis(4-chlorophenyl)benzoate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanylamino)-3,5-bis(4-chlorophenyl)benzoate Openeye Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanylamino)-3,5-bis(4-chlorophenyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)amino]-3,5-bis(4-chlorophenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanylamino)-3,5-bis(4-chlorophenyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)amino]-3,5-bis(4-chlorophenyl)benzoic acid ethyl ester Formula: C28H20Cl2N2O2S2 MolecularWeight: 551.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C2=CC=C(C=C2)Cl)NSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C2=CC=C(C=C2)Cl)NSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H20Cl2N2O2S2/c1-2-34-27(33)19-15-22(17-7-11-20(29)12-8-17)26(23(16-19)18-9-13-21(30)14-10-18)32-36-28-31-24-5-3-4-6-25(24)35-28/h3-16,32H,2H2,1H3