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

Systemtic Name: methyl 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H12N4O5S2 MolecularWeight: 368.38818

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N4O5S2/c1-3-23-13-16-15-12(24-13)14-10(18)7-4-8(11(19)22-2)6-9(5-7)17(20)21/h4-6H,3H2,1-2H3,(H,14,15,18)