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

Systemtic Name: methyl 4-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-24-17(23)14-9-7-13(8-10-14)16(22)19-18-21-20-15(25-18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,21,22)