methyl 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methoxy]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methoxy]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methoxy]thiophene-2-carboxylate CAS Name: 3-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methoxy]thiophene-2-carboxylate Traditional Name: 3-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl]oxythiophene-2-carboxylic acid methyl ester Formula: C20H14N2O5S3 MolecularWeight: 458.53056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O5S3/c1-26-19(23)18-15(8-9-28-18)27-11-12-6-7-17(14(10-12)22(24)25)30-20-21-13-4-2-3-5-16(13)29-20/h2-10H,11H2,1H3