dimethyl 2-[(E)-4-phenylsulfanylbut-3-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(E)-4-phenylsulfanylbut-3-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(E)-4-phenylsulfanylbut-3-enyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(E)-4-(phenylthio)but-3-enyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-phenylsulfanylbut-3-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(E)-4-(phenylthio)but-3-enyl]-2-propargyl-malonic acid dimethyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=CSC1=CC=CC=C1)(CC#C)C(=O)OC

Isomeric SMILES

COC(=O)C(CC/C=C/SC1=CC=CC=C1)(CC#C)C(=O)OC

InChI

InChI=1S/C18H20O4S/c1-4-12-18(16(19)21-2,17(20)22-3)13-8-9-14-23-15-10-6-5-7-11-15/h1,5-7,9-11,14H,8,12-13H2,2-3H3/b14-9+