3-(furan-2-ylmethylamino)-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 3-(furan-2-ylmethylamino)-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-(2-furylmethylamino)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3-(2-furanylmethylamino)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3-(furan-2-ylmethylamino)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-(2-furfurylamino)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)NCC3=CC=CO3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)NCC3=CC=CO3)C#N)C

InChI

InChI=1S/C16H16N2O2S/c1-16(2)6-11-13(8-17)21-15(14(11)12(19)7-16)18-9-10-4-3-5-20-10/h3-5,18H,6-7,9H2,1-2H3