[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-11(17(22)19-10-13-3-2-8-26-13)25-16(21)7-5-12-4-6-14(18)15(9-12)20(23)24/h2-9,11H,10H2,1H3,(H,19,22)/b7-5+