ethyl 2-[2-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-(isoamylthio)-3-nitro-benzoyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-4-27-17(23)10-14-11-29-19(20-14)21-18(24)13-5-6-16(15(9-13)22(25)26)28-8-7-12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,20,21,24)