methyl 6-azanyl-5-cyano-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridin-1-iumylthio)methyl]phenyl]-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-[4-methoxy-3-[(pyridin-1-ium-2-ylthio)methyl]phenyl]-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C22H22N3O4S+ MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=[NH+]3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=[NH+]3)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-13-19(22(26)28-3)20(16(11-23)21(24)29-13)14-7-8-17(27-2)15(10-14)12-30-18-6-4-5-9-25-18/h4-10,20H,12,24H2,1-3H3/p+1