ethyl 15-(3-phenylprop-2-ynoylamino)-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate

Systemtic Name: ethyl 15-(3-phenylprop-2-ynoylamino)-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate Openeye Name: ethyl 15-(3-phenylprop-2-ynoylamino)-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate CAS Name: 15-[(1-oxo-3-phenylprop-2-ynyl)amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylic acid ethyl ester IUPAC Name: ethyl 15-(3-phenylprop-2-ynoylamino)-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate Traditional Name: 15-[(3-phenylpropioloyl)amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylic acid ethyl ester Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H33NO3S/c1-2-31-27(30)25-22-17-13-8-6-4-3-5-7-9-14-18-23(22)32-26(25)28-24(29)20-19-21-15-11-10-12-16-21/h10-12,15-16H,2-9,13-14,17-18H2,1H3,(H,28,29)