ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-propan-2-ylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C(C)C)SCCCC(=O)OCC)CC(=O)N

Isomeric SMILES

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C(C)C)SCCCC(=O)OCC)CC(=O)N

InChI

InChI=1S/C28H36N2O3S/c1-5-24-23(17-27(29)31)22-16-26(34-14-10-13-28(32)33-6-2)21(19(3)4)15-25(22)30(24)18-20-11-8-7-9-12-20/h7-9,11-12,15-16,19H,5-6,10,13-14,17-18H2,1-4H3,(H2,29,31)