[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-23-12-4-2-10(3-5-12)17-16-18-11(9-25-16)8-24-15(20)13-6-7-14(26-13)19(21)22/h2-7,9H,8H2,1H3,(H,17,18)