ethyl 3,4-dimethyl-2-(3-nitrophenyl)carbonyl-thieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-(3-nitrophenyl)carbonyl-thieno[2,3-b]thiophene-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-(3-nitrobenzoyl)thieno[2,3-b]thiophene-5-carboxylate CAS Name: 3,4-dimethyl-2-[(3-nitrophenyl)-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-(3-nitrobenzoyl)thieno[2,3-b]thiophene-5-carboxylate Traditional Name: 3,4-dimethyl-2-(3-nitrobenzoyl)thieno[2,3-b]thiophene-5-carboxylic acid ethyl ester Formula: C18H15NO5S2 MolecularWeight: 389.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)SC(=C2C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)SC(=C2C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15NO5S2/c1-4-24-17(21)16-10(3)13-9(2)15(25-18(13)26-16)14(20)11-6-5-7-12(8-11)19(22)23/h5-8H,4H2,1-3H3