methyl (E)-3-pent-4-ynylsulfinyl-4-phenylmethoxy-but-2-enoate

Systemtic Name: methyl (E)-3-pent-4-ynylsulfinyl-4-phenylmethoxy-but-2-enoate Openeye Name: methyl (E)-4-benzyloxy-3-pent-4-ynylsulfinyl-but-2-enoate CAS Name: (E)-3-pent-4-ynylsulfinyl-4-phenylmethoxy-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-pent-4-ynylsulfinyl-4-phenylmethoxybut-2-enoate Traditional Name: (E)-4-benzoxy-3-pent-4-ynylsulfinyl-but-2-enoic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(COCC1=CC=CC=C1)S(=O)CCCC#C

Isomeric SMILES

COC(=O)/C=C(\COCC1=CC=CC=C1)/S(=O)CCCC#C

InChI

InChI=1S/C17H20O4S/c1-3-4-8-11-22(19)16(12-17(18)20-2)14-21-13-15-9-6-5-7-10-15/h1,5-7,9-10,12H,4,8,11,13-14H2,2H3/b16-12+