[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-11-4-5-14(9-16(11)22(25)26)18(24)27-10-17(23)15-8-12(2)21(13(15)3)19-20-6-7-28-19/h4-9H,10H2,1-3H3