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

Systemtic Name: ethyl 2-[2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-benzamido-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-benzamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-benzamido-4-(methylthio)butanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S2/c1-3-32-25(31)21-17-11-7-8-12-19(17)35-23(21)27-20(28)15-33-24(30)18(13-14-34-2)26-22(29)16-9-5-4-6-10-16/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1