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

Systemtic Name: ethyl (6S)-2-[2-(4-chloranylphenoxy)ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO4S/c1-3-13-5-10-16-17(11-13)28-20(19(16)21(25)26-4-2)23-18(24)12-27-15-8-6-14(22)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,24)/t13-/m0/s1