methyl 3-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=NC=CN3C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=NC=CN3C

InChI

InChI=1S/C17H15N5O5S/c1-9-13(14-18-4-5-21(14)2)28-17(19-9)20-15(23)10-6-11(16(24)27-3)8-12(7-10)22(25)26/h4-8H,1-3H3,(H,19,20,23)