ethyl 4-[2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2,7-dimethyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2,7-dimethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2,7-dimethylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2,7-dimethyl-indol-5-yl)thio]butyric acid ethyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=CC(=C2C(=C1)C=C(N2CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CCCSC1=CC(=C2C(=C1)C=C(N2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H27NO2S/c1-4-26-22(25)11-8-12-27-21-13-17(2)23-20(15-21)14-18(3)24(23)16-19-9-6-5-7-10-19/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3