2-[[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[(5-p-phenetyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15N3O4S/c1-2-25-12-9-7-11(8-10-12)16-20-21-18(26-16)19-15(22)13-5-3-4-6-14(13)17(23)24/h3-10H,2H2,1H3,(H,23,24)(H,19,21,22)