[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O5S2/c1-15(21(25)22-14-18-7-4-12-29-18)28-20(24)10-11-23-30(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,12-13,15,23H,10-11,14H2,1H3,(H,22,25)