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

Systemtic Name: ethyl 3-[(3-methoxy-3-oxidanylidene-1-thiophen-2-yl-propyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-methoxy-3-oxo-1-(2-thienyl)propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-keto-3-methoxy-1-(2-thienyl)propyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-3-27-18(23)12-7-11(8-13(9-12)20(24)25)17(22)19-14(10-16(21)26-2)15-5-4-6-28-15/h4-9,14H,3,10H2,1-2H3,(H,19,22)