ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2,7-dimethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2,7-dimethylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-4-30-24(29)11-8-12-31-20-13-17(2)25-22(14-20)21(15-23(26)28)18(3)27(25)16-19-9-6-5-7-10-19/h5-7,9-10,13-14H,4,8,11-12,15-16H2,1-3H3,(H2,26,28)