[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC#C)NS(=O)(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCC#C)NS(=O)(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C18H22N2O5S/c1-4-11-19-16(21)13-25-18(22)17(14(2)3)20-26(23,24)12-10-15-8-6-5-7-9-15/h1,5-10,12,14,17,20H,11,13H2,2-3H3,(H,19,21)/b12-10+