phenacyl 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-keto-butyric acid phenacyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c23-13-17-16-9-5-2-6-10-19(16)29-22(17)24-20(26)11-12-21(27)28-14-18(25)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-12,14H2,(H,24,26)