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

Systemtic Name: methyl 4-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-11-8-14(12(2)21(11)19-20-6-7-29-19)16(23)10-28-17-5-4-13(18(24)27-3)9-15(17)22(25)26/h4-9H,10H2,1-3H3