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

Systemtic Name: methyl 4-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(5-amyl-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:

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O3S/c1-3-4-5-6-13-18-19-16(23-13)17-14(20)11-7-9-12(10-8-11)15(21)22-2/h7-10H,3-6H2,1-2H3,(H,17,19,20)