furan-2-ylmethanethiol; (E)-2-methylbut-2-enoate

Systemtic Name: furan-2-ylmethanethiol; (E)-2-methylbut-2-enoate Openeye Name: 2-furylmethanethiol; (E)-2-methylbut-2-enoate CAS Name: 2-furanylmethanethiol; (E)-2-methyl-2-butenoate IUPAC Name: furan-2-ylmethanethiol; (E)-2-methylbut-2-enoate Traditional Name: 2-furylmethanethiol; (E)-2-methylbut-2-enoate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)[O-].C1=COC(=C1)CS

Isomeric SMILES

C/C=C(\C)/C(=O)[O-].C1=COC(=C1)CS

InChI

InChI=1S/C5H8O2.C5H6OS/c1-3-4(2)5(6)7;7-4-5-2-1-3-6-5/h3H,1-2H3,(H,6,7);1-3,7H,4H2/p-1/b4-3+;