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

Systemtic Name: methyl 4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O3S/c1-4-10(5-2)14-18-19-16(23-14)17-13(20)11-6-8-12(9-7-11)15(21)22-3/h6-10H,4-5H2,1-3H3,(H,17,19,20)