ethyl 4-[2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2-ethyl-6-isopropyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2-ethyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2-ethyl-6-propan-2-ylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2-ethyl-6-isopropyl-indol-5-yl)thio]butyric acid ethyl ester Formula: C26H33NO2S MolecularWeight: 423.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C=C2N1CC3=CC=CC=C3)C(C)C)SCCCC(=O)OCC

Isomeric SMILES

CCC1=CC2=CC(=C(C=C2N1CC3=CC=CC=C3)C(C)C)SCCCC(=O)OCC

InChI

InChI=1S/C26H33NO2S/c1-5-22-15-21-16-25(30-14-10-13-26(28)29-6-2)23(19(3)4)17-24(21)27(22)18-20-11-8-7-9-12-20/h7-9,11-12,15-17,19H,5-6,10,13-14,18H2,1-4H3