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

Systemtic Name: ethyl 4-[3-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-amino-1-hydroxy-2-oxo-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-amino-1-hydroxy-2-oxoethyl)-2,7-dimethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2,7-dimethylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-amino-1-hydroxy-2-keto-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-4-31-21(28)11-8-12-32-19-13-16(2)23-20(14-19)22(24(29)25(26)30)17(3)27(23)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,24,29H,4,8,11-12,15H2,1-3H3,(H2,26,30)