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

Systemtic Name: ethyl 2-[2-[(2S)-2-benzamidopentanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-benzamidopentanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-benzamido-1-oxopentoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-benzamidopentanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-benzamidopentanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@@H](C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S/c1-3-10-18(26-22(29)16-11-6-5-7-12-16)24(30)33-15-20(28)27-23-21(25(31)32-4-2)17-13-8-9-14-19(17)34-23/h5-7,11-12,18H,3-4,8-10,13-15H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1