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

Systemtic Name: ethyl 3-[[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(5-chloro-2-thienyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(5-chloro-2-thiophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(5-chloro-2-thienyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H12ClN3O5S2 MolecularWeight: 437.87728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S2/c1-2-26-16(23)10-5-9(6-11(7-10)21(24)25)15(22)20-17-19-12(8-27-17)13-3-4-14(18)28-13/h3-8H,2H2,1H3,(H,19,20,22)