[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c1-12(2)19(16-4-3-9-28-16)21-17(23)11-27-18(24)8-6-13-5-7-14(20)15(10-13)22(25)26/h3-10,12,19H,11H2,1-2H3,(H,21,23)/b8-6+