sodium 1-[3-[2-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[3-[2-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[3-[2-[[2-(7-azido-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[3-[2-[[2-(7-azido-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]ethyldisulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[3-[2-[[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 1-[3-[2-[[2-(7-azido-2-keto-4-methyl-chromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonate Formula: C21H20N5NaO10S3 MolecularWeight: 621.59577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O10S3.Na/c1-11-13-3-2-12(24-25-22)8-15(13)35-21(31)14(11)9-17(27)23-5-7-38-37-6-4-19(29)36-26-18(28)10-16(20(26)30)39(32,33)34;/h2-3,8,16H,4-7,9-10H2,1H3,(H,23,27)(H,32,33,34);/q;+1/p-1