(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C16H12N2O4S3 MolecularWeight: 392.47248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S3/c1-23-14-3-2-10(6-13(14)18(20)21)16(19)22-7-12-9-25-15(17-12)11-4-5-24-8-11/h2-6,8-9H,7H2,1H3