ethyl 3-[(2-methyl-1-thiophen-2-yl-propyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-methyl-1-thiophen-2-yl-propyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-methyl-1-(2-thienyl)propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-methyl-1-(2-thienyl)propyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=CS2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=CS2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-4-25-18(22)13-8-12(9-14(10-13)20(23)24)17(21)19-16(11(2)3)15-6-5-7-26-15/h5-11,16H,4H2,1-3H3,(H,19,21)