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

Systemtic Name: ethyl 3-[[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6S/c1-3-30-19(26)13-6-12(7-14(8-13)24(27)28)18(25)23-20-22-16(10-31-20)11-4-5-17(29-2)15(21)9-11/h4-10H,3H2,1-2H3,(H,22,23,25)