3-[[5-(dimethylamino)-2-methyl-1,3-thiazol-4-yl]oxycarbonyl]-5-methoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine

Systemtic Name: 3-[[5-(dimethylamino)-2-methyl-1,3-thiazol-4-yl]oxycarbonyl]-5-methoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine Openeye Name: 3-[5-(dimethylamino)-2-methyl-thiazol-4-yl]oxycarbonyl-3-hydroxy-5-methoxy-5-oxo-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine CAS Name: 3-[[5-(dimethylamino)-2-methyl-4-thiazolyl]oxy-oxomethyl]-3-hydroxy-5-methoxy-5-oxopentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-1-buten-1-amine IUPAC Name: 3-[[5-(dimethylamino)-2-methyl-1,3-thiazol-4-yl]oxycarbonyl]-3-hydroxy-5-methoxy-5-oxopentanoic acid; (Z)-N-methyl-2-nitro-1-thionitrosobut-1-en-1-amine Traditional Name: 3-[5-(dimethylamino)-2-methyl-thiazol-4-yl]oxycarbonyl-3-hydroxy-5-keto-5-methoxy-valeric acid; methyl-[(Z)-2-nitro-1-thionitroso-but-1-enyl]amine Formula: C18H27N5O9S2 MolecularWeight: 521.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(NC)N=S)[N+](=O)[O-].CC1=NC(=C(S1)N(C)C)OC(=O)C(CC(=O)O)(CC(=O)OC)O

Isomeric SMILES

CC/C(=C(\NC)/N=S)/[N+](=O)[O-].CC1=NC(=C(S1)N(C)C)OC(=O)C(CC(=O)O)(CC(=O)OC)O

InChI

InChI=1S/C13H18N2O7S.C5H9N3O2S/c1-7-14-10(11(23-7)15(2)3)22-12(19)13(20,5-8(16)17)6-9(18)21-4;1-3-4(8(9)10)5(6-2)7-11/h20H,5-6H2,1-4H3,(H,16,17);6H,3H2,1-2H3/b;5-4-