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

Systemtic Name: ethyl 3-nitro-5-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-pyrrolidino-2-(2-thienyl)ethyl]carbamoyl]benzoic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-28-20(25)15-10-14(11-16(12-15)23(26)27)19(24)21-13-17(18-6-5-9-29-18)22-7-3-4-8-22/h5-6,9-12,17H,2-4,7-8,13H2,1H3,(H,21,24)