ethyl (2E)-2-[methylsulfanyl-[(phenylmethyl)amino]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[methylsulfanyl-[(phenylmethyl)amino]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(benzylamino)-methylsulfanyl-methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(methylthio)-[(phenylmethyl)amino]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(benzylamino)-methylsulfanylmethylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(benzylamino)-3-(methylthio)acrylic acid ethyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC1=CC=CC=C1)SC)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(\NCC1=CC=CC=C1)/SC)/C(=O)C

InChI

InChI=1S/C15H19NO3S/c1-4-19-15(18)13(11(2)17)14(20-3)16-10-12-8-6-5-7-9-12/h5-9,16H,4,10H2,1-3H3/b14-13+