O-[2,5-bis(oxidanylidene)-3-sulfanyl-pyrrolidin-1-yl] 3-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanethioate

Systemtic Name: O-[2,5-bis(oxidanylidene)-3-sulfanyl-pyrrolidin-1-yl] 3-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanethioate Openeye Name: O-(2,5-dioxo-3-sulfanyl-pyrrolidin-1-yl) 3-[[2-(7-azido-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanethioate CAS Name: 3-[[2-(7-azido-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanethioic acid O-(3-mercapto-2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: O-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl) 3-[[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanethioate Traditional Name: 3-[[2-(7-azido-2-keto-4-methyl-chromen-3-yl)acetyl]amino]propanethioic acid O-(2,5-diketo-3-mercapto-pyrrolidino) ester Formula: C19H17N5O6S2 MolecularWeight: 475.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)NCCC(=S)ON3C(=O)CC(C3=O)S

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)NCCC(=S)ON3C(=O)CC(C3=O)S

InChI

InChI=1S/C19H17N5O6S2/c1-9-11-3-2-10(22-23-20)6-13(11)29-19(28)12(9)7-15(25)21-5-4-17(32)30-24-16(26)8-14(31)18(24)27/h2-3,6,14,31H,4-5,7-8H2,1H3,(H,21,25)