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

Systemtic Name: methyl 3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-ethyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O5S/c1-3-16-17(12-7-5-4-6-8-12)21-20(29-16)22-18(24)13-9-14(19(25)28-2)11-15(10-13)23(26)27/h4-11H,3H2,1-2H3,(H,21,22,24)