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

Systemtic Name: 2-[[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]amino]ethanoate Openeye Name: 2-[[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]amino]acetate CAS Name: 2-[[4-methyl-5-[(4-nitrophenyl)methyl]-2-thiazolyl]amino]acetate IUPAC Name: 2-[[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]amino]acetate Traditional Name: 2-[[4-methyl-5-(4-nitrobenzyl)thiazol-2-yl]amino]acetate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC(=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NCC(=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-8-11(21-13(15-8)14-7-12(17)18)6-9-2-4-10(5-3-9)16(19)20/h2-5H,6-7H2,1H3,(H,14,15)(H,17,18)/p-1