methyl 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-26-16(23)12-7-11(8-13(9-12)21(24)25)14(22)18-17-20-19-15(27-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,18,20,22)