(3R,4R)-4,7,7-trimethyl-5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (3R,4R)-4,7,7-trimethyl-5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (3R,4R)-3-allyl-4,7,7-trimethyl-5-oxo-2-thioxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (3R,4R)-4,7,7-trimethyl-5-oxo-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (3R,4R)-4,7,7-trimethyl-5-oxo-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (3R,4R)-3-allyl-5-keto-4,7,7-trimethyl-2-thioxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC(CC2=O)(C)C)NC(=S)C1(CC=C)C#N

Isomeric SMILES

C[C@@H]1C2=C(CC(CC2=O)(C)C)NC(=S)[C@@]1(CC=C)C#N

InChI

InChI=1S/C16H20N2OS/c1-5-6-16(9-17)10(2)13-11(18-14(16)20)7-15(3,4)8-12(13)19/h5,10H,1,6-8H2,2-4H3,(H,18,20)/t10-,16+/m1/s1