[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-11(15-5-4-8-26-15)18-16(21)10-25-17(22)12-6-7-13(19(2)3)14(9-12)20(23)24/h4-9,11H,10H2,1-3H3,(H,18,21)/t11-/m1/s1