[5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-ethylbenzoate

Systemtic Name: [5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-ethylbenzoate Openeye Name: [5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [5-[(4-chloroanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C19H16ClN3O3S MolecularWeight: 401.86664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O3S/c1-2-12-3-5-13(6-4-12)19(25)26-11-16-22-23-18(27-16)17(24)21-15-9-7-14(20)8-10-15/h3-10H,2,11H2,1H3,(H,21,24)