[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](CCSC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5S/c1-3-17-8-7-11-19-20(14-26-24(17)19)22(28)15-32-25(30)21(12-13-33-2)27-23(29)16-31-18-9-5-4-6-10-18/h4-11,14,21,26H,3,12-13,15-16H2,1-2H3,(H,27,29)/t21-/m0/s1