methyl 2-[2-[[2-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[[2-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[2-[[2-(benzothiophene-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-oxo-butyl]sulfanylacetate CAS Name: 2-[[2-[[2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[2-(1-benzothiophene-2-carbonylamino)-4-methylpentanoyl]amino]-3-oxobutyl]sulfanylacetate Traditional Name: 2-[[2-[[2-(benzothiophene-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-keto-butyl]thio]acetic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CSCC(=O)OC)C(=O)C)NC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CC(C(=O)NC(CSCC(=O)OC)C(=O)C)NC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C22H28N2O5S2/c1-13(2)9-16(21(27)24-17(14(3)25)11-30-12-20(26)29-4)23-22(28)19-10-15-7-5-6-8-18(15)31-19/h5-8,10,13,16-17H,9,11-12H2,1-4H3,(H,23,28)(H,24,27)