2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-[methyl(2-thienylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-[methyl(thiophen-2-ylmethyl)amino]ethyl ester IUPAC Name: 2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-[methyl(2-thenyl)amino]ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCN(C)CC2=CC=CS2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCN(C)CC2=CC=CS2

InChI

InChI=1S/C19H20N2O5S/c1-14(22)18(12-15-5-3-6-16(11-15)21(24)25)19(23)26-9-8-20(2)13-17-7-4-10-27-17/h3-7,10-12H,8-9,13H2,1-2H3/b18-12+