(Z)-(5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium

Systemtic Name: (Z)-(5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium Openeye Name: (Z)-tert-butoxy-[5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium CAS Name: (Z)-(5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium IUPAC Name: (Z)-(5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium Traditional Name: (Z)-tert-butoxy-[5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OC(C)(C)C)C2=CC=CS2)C#N)S.C1COCC[NH2+]1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(\[O-])/OC(C)(C)C)C2=CC=CS2)C#N)S.C1COCC[NH2+]1

InChI

InChI=1S/C16H18N2O2S2.C4H9NO/c1-9-12(15(19)20-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(21)18-9;1-3-6-4-2-5-1/h5-7,13,19,21H,1-4H3;5H,1-4H2/b15-12+;