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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-4-10-5-6-12-11(7-10)8-13(23-12)15(20)22-9(2)14(19)18-16(21)17-3/h8-10H,4-7H2,1-3H3,(H2,17,18,19,21)/t9-,10-/m1/s1