propyl (6R)-2-[(4-chlorophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6R)-2-[(4-chlorophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6R)-2-[(4-chlorobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6R)-2-[(4-chlorobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-chlorobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)CC)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-3-11-26-21(25)18-16-10-5-13(4-2)12-17(16)27-20(18)23-19(24)14-6-8-15(22)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,24)/t13-/m1/s1