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

Systemtic Name: methyl 3-nitro-5-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-27-19(24)14-9-13(10-15(11-14)22(25)26)18(23)20-12-16(17-5-4-8-28-17)21-6-2-3-7-21/h4-5,8-11,16H,2-3,6-7,12H2,1H3,(H,20,23)