[(2R)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium Openeye Name: [(1R)-1-(benzylsulfanylmethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]ammonium IUPAC Name: [(2R)-3-benzylsulfanyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-1-[(benzylthio)methyl]-2-keto-2-[(2-keto-4-methyl-chromen-7-yl)amino]ethyl]ammonium Formula: C20H21N2O3S+ MolecularWeight: 369.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CSCC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CSCC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H20N2O3S/c1-13-9-19(23)25-18-10-15(7-8-16(13)18)22-20(24)17(21)12-26-11-14-5-3-2-4-6-14/h2-10,17H,11-12,21H2,1H3,(H,22,24)/p+1/t17-/m0/s1