diethyl-[(E)-3-oxidanylidene-4-phenyl-4-thiophen-2-yl-but-1-enyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[(E)-3-oxidanylidene-4-phenyl-4-thiophen-2-yl-but-1-enyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[(E)-3-oxo-4-phenyl-4-(2-thienyl)but-1-enyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-ylbut-1-enyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-ylbut-1-enyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[(E)-3-keto-4-phenyl-4-(2-thienyl)but-1-enyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C=CC(=O)C(C1=CC=CC=C1)C2=CC=CS2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)/C=C/C(=O)C(C1=CC=CC=C1)C2=CC=CS2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H21NOS.C4H4O4/c1-3-19(4-2)13-12-16(20)18(17-11-8-14-21-17)15-9-6-5-7-10-15;5-3(6)1-2-4(7)8/h5-14,18H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b13-12+;2-1-