[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S2/c1-13-6-7-16(17(10-13)22(25)26)21-19(23)12-27-20(24)15(18-5-3-9-29-18)11-14-4-2-8-28-14/h2-11H,12H2,1H3,(H,21,23)/b15-11+