2-[(5-ethoxycarbonyl-4-ethyl-1,3-thiazol-2-yl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-4-ethyl-1,3-thiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-4-ethyl-thiazol-2-yl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(5-ethoxycarbonyl-4-ethyl-2-thiazolyl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-4-ethyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(5-carbethoxy-4-ethyl-thiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)OCC

InChI

InChI=1S/C16H15N3O7S/c1-3-9-12(15(23)26-4-2)27-16(17-9)18-13(20)11-8(14(21)22)6-5-7-10(11)19(24)25/h5-7H,3-4H2,1-2H3,(H,21,22)(H,17,18,20)