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

Systemtic Name: methyl 2-[2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]thiazol-4-yl]acetic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-12-5-7-22(8-6-12)15-4-3-13(9-16(15)23(26)27)18(25)21-19-20-14(11-29-19)10-17(24)28-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21,25)