dipotassium [[4-[(E)-2-cyano-3-oxidanylidene-3-[(3-sulfonatophenyl)amino]prop-1-enyl]phenyl]-ethyl-carbamoyl]sulfanylmethanoate

Systemtic Name: dipotassium [[4-[(E)-2-cyano-3-oxidanylidene-3-[(3-sulfonatophenyl)amino]prop-1-enyl]phenyl]-ethyl-carbamoyl]sulfanylmethanoate Openeye Name: dipotassium [[4-[(E)-2-cyano-3-oxo-3-(3-sulfonatoanilino)prop-1-enyl]phenyl]-ethyl-carbamoyl]sulfanylformate CAS Name: dipotassium [[[4-[(E)-2-cyano-3-oxo-3-(3-sulfonatoanilino)prop-1-enyl]-N-ethylanilino]-oxomethyl]thio]formate IUPAC Name: dipotassium [[4-[(E)-2-cyano-3-oxo-3-(3-sulfonatoanilino)prop-1-enyl]phenyl]-ethylcarbamoyl]sulfanylformate Traditional Name: dipotassium [[[4-[(E)-2-cyano-3-keto-3-(3-sulfonatoanilino)prop-1-enyl]phenyl]-ethyl-carbamoyl]thio]formate Formula: C20H15K2N3O7S2 MolecularWeight: 551.6756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-])C(=O)SC(=O)[O-].[K+].[K+]

Isomeric SMILES

CCN(C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-])C(=O)SC(=O)[O-].[K+].[K+]

InChI

InChI=1S/C20H17N3O7S2.2K/c1-2-23(19(25)31-20(26)27)16-8-6-13(7-9-16)10-14(12-21)18(24)22-15-4-3-5-17(11-15)32(28,29)30;;/h3-11H,2H2,1H3,(H,22,24)(H,26,27)(H,28,29,30);;/q;2*+1/p-2/b14-10+;;