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

Systemtic Name: methyl 3-nitro-5-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c1-27-17(24)13-8-12(9-14(10-13)22(25)26)16(23)19-18-21-20-15(28-18)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,19,21,23)