[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-14-2-4-16(5-3-14)21-23-17(13-30-21)12-29-19(25)10-11-22-20(26)15-6-8-18(9-7-15)24(27)28/h2-9,13H,10-12H2,1H3,(H,22,26)