diethyl (2S)-2-[[5-(prop-2-ynylamino)thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[5-(prop-2-ynylamino)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[5-(prop-2-ynylamino)thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[oxo-[5-(prop-2-ynylamino)-2-thiophenyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[5-(prop-2-ynylamino)thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[5-(propargylamino)thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(S1)NCC#C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(S1)NCC#C

InChI

InChI=1S/C17H22N2O5S/c1-4-11-18-14-9-8-13(25-14)16(21)19-12(17(22)24-6-3)7-10-15(20)23-5-2/h1,8-9,12,18H,5-7,10-11H2,2-3H3,(H,19,21)/t12-/m0/s1