2-ethyl-2-[ethyl-[(E)-3-phenylsulfanylprop-2-enoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-ethyl-2-[ethyl-[(E)-3-phenylsulfanylprop-2-enoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-ethyl-2-[ethyl-[(E)-3-phenylsulfanylprop-2-enoyl]amino]-4-hydroxy-4-oxo-butanoate CAS Name: 2-ethyl-2-[ethyl-[(E)-1-oxo-3-(phenylthio)prop-2-enyl]amino]-4-hydroxy-4-oxobutanoate IUPAC Name: 2-ethyl-2-[ethyl-[(E)-3-phenylsulfanylprop-2-enoyl]amino]-4-hydroxy-4-oxobutanoate Traditional Name: 2-ethyl-2-[ethyl-[(E)-3-(phenylthio)acryloyl]amino]-4-hydroxy-4-keto-butyrate Formula: C17H20NO5S- MolecularWeight: 350.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(C(=O)[O-])N(CC)C(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

CCC(CC(=O)O)(C(=O)[O-])N(CC)C(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C17H21NO5S/c1-3-17(16(22)23,12-15(20)21)18(4-2)14(19)10-11-24-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,20,21)(H,22,23)/p-1/b11-10+