(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-2-3-8-23-12-6-4-11(5-7-12)16(22)18-9-14(21)24-10-13-15(17)25-20-19-13/h4-7H,2-3,8-10H2,1H3,(H,18,22)