ethyl 3-[(5-chloranylthiophen-2-yl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(5-chloranylthiophen-2-yl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5-chloro-2-thienyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-chloro-2-thiophenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-chloro-2-thienyl)methyl-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O5S/c1-3-24-16(21)11-6-10(7-12(8-11)19(22)23)15(20)18(2)9-13-4-5-14(17)25-13/h4-8H,3,9H2,1-2H3