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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H22N2O4S/c1-13(18(23)22-20(25)21-12-14-7-3-2-4-8-14)26-19(24)17-11-15-9-5-6-10-16(15)27-17/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H2,21,22,23,25)/t13-/m1/s1