[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O5S/c1-3-19(9-13-6-7-15(18)26-13)16(21)10-25-17(22)12-5-4-11(2)14(8-12)20(23)24/h4-8H,3,9-10H2,1-2H3