methyl 2-[(2R,4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[(2R,4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(1R,3E)-1-methyl-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanylacetate CAS Name: 2-[[(2R,4E)-3-oxo-4-(1,3,3-trimethyl-2-indolylidene)butan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylacetate Traditional Name: 2-[[(1R,3E)-2-keto-1-methyl-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]acetic acid methyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)SCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)SCC(=O)OC

InChI

InChI=1S/C18H23NO3S/c1-12(23-11-17(21)22-5)15(20)10-16-18(2,3)13-8-6-7-9-14(13)19(16)4/h6-10,12H,11H2,1-5H3/b16-10+/t12-/m1/s1