ethyl 5-azanyl-4-cyano-3-[[2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(indoline-1-carbonyl)cyclohexanecarbonyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[2,3-dihydroindol-1-yl(oxo)methyl]cyclohexyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(indoline-1-carbonyl)cyclohexanecarbonyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O5S/c1-2-32-25(31)21-19(18(13-26)22(27)34-21)14-33-24(30)17-9-5-4-8-16(17)23(29)28-12-11-15-7-3-6-10-20(15)28/h3,6-7,10,16-17H,2,4-5,8-9,11-12,14,27H2,1H3