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

Systemtic Name: ethyl 3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-4-30-20(26)15-9-14(10-16(11-15)24(27)28)19(25)23-21-22-18(12(2)31-21)13-5-7-17(29-3)8-6-13/h5-11H,4H2,1-3H3,(H,22,23,25)