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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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