[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C17H23N3O6S/c1-4-18-17(23)19-15(21)11(2)26-16(22)14-9-12-7-5-6-8-13(12)10-20(14)27(3,24)25/h5-8,11,14H,4,9-10H2,1-3H3,(H2,18,19,21,23)/t11-,14+/m0/s1