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

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(methylcarbamoylamino)-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-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-13-9-10-16-15(11-13)12-17(28-16)20(25)27-18(14-7-5-4-6-8-14)19(24)23-21(26)22-2/h4-8,12-13,18H,3,9-11H2,1-2H3,(H2,22,23,24,26)/t13-,18+/m0/s1