[(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl] 2-chloranylbenzoate

Systemtic Name: [(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl] 2-chloranylbenzoate Openeye Name: [(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl] ester IUPAC Name: [(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(2-chlorophenyl)-[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl] ester Formula: C21H12Cl2N2O4S2 MolecularWeight: 491.36698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(OC(=O)C2=CC=CC=C2Cl)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(OC(=O)C2=CC=CC=C2Cl)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H12Cl2N2O4S2/c22-15-7-3-1-5-13(15)19(26)29-20(14-6-2-4-8-16(14)23)31-21-24-17-10-9-12(25(27)28)11-18(17)30-21/h1-11,20H