[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3

InChI

InChI=1S/C21H18N2O6S2/c1-13(20(24)22-17-11-14(23(26)27)7-8-18(17)28-2)29-21(25)16(19-6-4-10-31-19)12-15-5-3-9-30-15/h3-13H,1-2H3,(H,22,24)/b16-12+/t13-/m0/s1