2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate CAS Name: 2-[[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Formula: C18H14N3O5S- MolecularWeight: 384.38586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)[O-])OC

InChI

InChI=1S/C18H15N3O5S/c1-25-13-8-7-10(9-14(13)26-2)16-20-21-18(27-16)19-15(22)11-5-3-4-6-12(11)17(23)24/h3-9H,1-2H3,(H,23,24)(H,19,21,22)/p-1