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

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 3-methylbenzoate Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl] ester Formula: C22H16N2O4S2 MolecularWeight: 436.50344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O4S2/c1-14-5-4-6-16(11-14)21(25)28-13-15-9-10-20(18(12-15)24(26)27)30-22-23-17-7-2-3-8-19(17)29-22/h2-12H,13H2,1H3