(3S)-2,2-dimethyl-3-oxidanyl-4-(2-sulfanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(2-sulfanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-thioxopyrrolidin-1-yl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-sulfanylidene-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-sulfanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-thioxopyrrolidino)chroman-6-carbonitrile Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=S)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=S)O)C

InChI

InChI=1S/C16H18N2O2S/c1-16(2)15(19)14(18-7-3-4-13(18)21)11-8-10(9-17)5-6-12(11)20-16/h5-6,8,14-15,19H,3-4,7H2,1-2H3/t14?,15-/m0/s1