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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15N3O4S/c1-11-6-8-12(9-7-11)25-10-15-20-21-18(26-15)19-16(22)13-4-2-3-5-14(13)17(23)24/h2-9H,10H2,1H3,(H,23,24)(H,19,21,22)