ethyl 2-[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-acetamido-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-acetamido-4-(methylthio)butanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N2O6S2 MolecularWeight: 456.57612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C20H28N2O6S2/c1-4-27-20(26)17-13-7-5-6-8-15(13)30-18(17)22-16(24)11-28-19(25)14(9-10-29-3)21-12(2)23/h14H,4-11H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1