methyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H14N4O5S2/c1-25-12-5-3-4-10(8-12)18-16-19-20-17(28-16)27-14-7-6-11(21(23)24)9-13(14)15(22)26-2/h3-9H,1-2H3,(H,18,19)