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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2,3-bis(2-thienyl)prop-2-enoate CAS Name: 2,3-dithiophen-2-yl-2-propenoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate Traditional Name: 2,3-bis(2-thienyl)acrylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C20H16N2O6S2/c1-27-17-7-6-13(22(25)26)10-16(17)21-19(23)12-28-20(24)15(18-5-3-9-30-18)11-14-4-2-8-29-14/h2-11H,12H2,1H3,(H,21,23)