S-pyrrolidin-1-yl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate

Systemtic Name: S-pyrrolidin-1-yl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-pyrrolidin-1-yl N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamothioate CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamothioic acid S-(1-pyrrolidinyl) ester IUPAC Name: S-pyrrolidin-1-yl N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamothioate Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiocarbamic acid S-pyrrolidino ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCCC3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCCC3)O)C

InChI

InChI=1S/C17H21N3O3S/c1-17(2)15(21)14(19-16(22)24-20-7-3-4-8-20)12-9-11(10-18)5-6-13(12)23-17/h5-6,9,14-15,21H,3-4,7-8H2,1-2H3,(H,19,22)