4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(5R)-3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]amino]-4-keto-butyric acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC[C@@]1(CC2=C(CO1)SC(=C2C#N)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C15H18N2O4S/c1-3-15(2)6-9-10(7-16)14(22-11(9)8-21-15)17-12(18)4-5-13(19)20/h3-6,8H2,1-2H3,(H,17,18)(H,19,20)/t15-/m1/s1