[(3R)-3-methoxycarbonyl-4-(phenoxycarbonylamino)-4-sulfanylidene-but-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-methoxycarbonyl-4-(phenoxycarbonylamino)-4-sulfanylidene-but-1-en-2-yl]azanium Openeye Name: [(2R)-2-methoxycarbonyl-1-methylene-3-(phenoxycarbonylamino)-3-thioxo-propyl]ammonium CAS Name: [(3R)-3-methoxycarbonyl-4-[[oxo(phenoxy)methyl]amino]-4-sulfanylidenebut-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-methoxycarbonyl-4-(phenoxycarbonylamino)-4-sulfanylidenebut-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-carbomethoxy-2-(carbophenoxyamino)-2-thioxo-ethyl]vinylammonium Formula: C13H15N2O4S+ MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C)[NH3+])C(=S)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@@H](C(=C)[NH3+])C(=S)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H14N2O4S/c1-8(14)10(12(16)18-2)11(20)15-13(17)19-9-6-4-3-5-7-9/h3-7,10H,1,14H2,2H3,(H,15,17,20)/p+1/t10-/m0/s1