methyl 3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-[(2-ethoxy-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-[(2-ethoxy-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H14N4O7S2 MolecularWeight: 426.42426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O7S2/c1-3-26-11(20)7-27-15-18-17-14(28-15)16-12(21)8-4-9(13(22)25-2)6-10(5-8)19(23)24/h4-6H,3,7H2,1-2H3,(H,16,17,21)