tert-butyl 5-cyano-2-methyl-6-oxidanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate; thiomorpholine

Systemtic Name: tert-butyl 5-cyano-2-methyl-6-oxidanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate; thiomorpholine Openeye Name: tert-butyl 5-cyano-6-hydroxy-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate; thiomorpholine CAS Name: 5-cyano-6-hydroxy-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester; thiomorpholine IUPAC Name: tert-butyl 5-cyano-6-hydroxy-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate; thiomorpholine Traditional Name: 5-cyano-6-hydroxy-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester; thiomorpholine Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)O)C#N)C2=CC=CS2)C(=O)OC(C)(C)C.C1CSCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)O)C#N)C2=CC=CS2)C(=O)OC(C)(C)C.C1CSCCN1

InChI

InChI=1S/C16H18N2O3S.C4H9NS/c1-9-12(15(20)21-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(19)18-9;1-3-6-4-2-5-1/h5-7,13,18-19H,1-4H3;5H,1-4H2