[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 2-chloranylbenzoate

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 2-chloranylbenzoate Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl] ester Formula: C21H13ClN2O4S2 MolecularWeight: 456.92192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13ClN2O4S2/c22-15-6-2-1-5-14(15)20(25)28-12-13-9-10-19(17(11-13)24(26)27)30-21-23-16-7-3-4-8-18(16)29-21/h1-11H,12H2