ethyl 5-phenyl-2-[2-(prop-2-ynylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2-(prop-2-ynylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-(prop-2-ynylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(prop-2-ynylamino)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-(prop-2-ynylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(propargylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CNCC#C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CNCC#C

InChI

InChI=1S/C18H18N2O3S/c1-3-10-19-12-16(21)20-17-14(18(22)23-4-2)11-15(24-17)13-8-6-5-7-9-13/h1,5-9,11,19H,4,10,12H2,2H3,(H,20,21)