methyl 2-[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-[(4-nitrophenyl)methyl]-4-propyl-thiazol-2-yl]acetate CAS Name: 2-[5-[(4-nitrophenyl)methyl]-4-propyl-2-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]acetate Traditional Name: 2-[5-(4-nitrobenzyl)-4-propyl-thiazol-2-yl]acetic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)CC(=O)OC)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(SC(=N1)CC(=O)OC)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-3-4-13-14(23-15(17-13)10-16(19)22-2)9-11-5-7-12(8-6-11)18(20)21/h5-8H,3-4,9-10H2,1-2H3