ethyl 5-azanyl-4-cyano-3-(1,2-dihydroacenaphthylen-5-ylcarbonyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(1,2-dihydroacenaphthylen-5-ylcarbonyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(1,2-dihydroacenaphthylene-5-carbonyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1,2-dihydroacenaphthylen-5-yl(oxo)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(1,2-dihydroacenaphthylene-5-carbonyloxymethyl)thiophene-2-carboxylate Traditional Name: 3-(acenaphthene-5-carbonyloxymethyl)-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H18N2O4S/c1-2-27-22(26)19-17(16(10-23)20(24)29-19)11-28-21(25)15-9-8-13-7-6-12-4-3-5-14(15)18(12)13/h3-5,8-9H,2,6-7,11,24H2,1H3