[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

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