[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(4,5-dimethyl-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-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3

InChI

InChI=1S/C21H18N2O5S2/c1-13-9-17(18(23(26)27)10-14(13)2)22-20(24)12-28-21(25)16(19-6-4-8-30-19)11-15-5-3-7-29-15/h3-11H,12H2,1-2H3,(H,22,24)/b16-11+