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

Systemtic Name: methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(2-methyl-4-thiazolyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H15N3O5S/c1-9-17-12(8-24-9)3-4-16-14(19)10-5-11(15(20)23-2)7-13(6-10)18(21)22/h5-8H,3-4H2,1-2H3,(H,16,19)