ethyl 2-(1,2-dihydroacenaphthylen-5-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,2-dihydroacenaphthylen-5-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,2-dihydroacenaphthylene-5-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,2-dihydroacenaphthylene-5-carbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(acenaphthene-5-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H21NO3S/c1-4-26-22(25)18-12(2)13(3)27-21(18)23-20(24)17-11-10-15-9-8-14-6-5-7-16(17)19(14)15/h5-7,10-11H,4,8-9H2,1-3H3,(H,23,24)