[(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC(=O)NCC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC(=O)NCC

InChI

InChI=1S/C22H26N2O4S/c1-3-14-10-11-17-16(12-14)13-18(29-17)21(26)28-19(15-8-6-5-7-9-15)20(25)24-22(27)23-4-2/h5-9,13-14,19H,3-4,10-12H2,1-2H3,(H2,23,24,25,27)/t14-,19+/m0/s1