5-[4-(5,5-dimethyl-2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]carbonyl-4-pyrrol-1-yl-thiophene-3-carbonitrile

Systemtic Name: 5-[4-(5,5-dimethyl-2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]carbonyl-4-pyrrol-1-yl-thiophene-3-carbonitrile Openeye Name: 5-[4-(5,5-dimethyl-2-oxo-1,3-oxazinan-3-yl)piperidine-1-carbonyl]-4-pyrrol-1-yl-thiophene-3-carbonitrile CAS Name: 5-[[4-(5,5-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-piperidinyl]-oxomethyl]-4-(1-pyrrolyl)-3-thiophenecarbonitrile IUPAC Name: 5-[4-(5,5-dimethyl-2-oxo-1,3-oxazinan-3-yl)piperidine-1-carbonyl]-4-pyrrol-1-ylthiophene-3-carbonitrile Traditional Name: 5-[4-(2-keto-5,5-dimethyl-1,3-oxazinan-3-yl)piperidine-1-carbonyl]-4-pyrrol-1-yl-thiophene-3-carbonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)OC1)C2CCN(CC2)C(=O)C3=C(C(=CS3)C#N)N4C=CC=C4)C

Isomeric SMILES

CC1(CN(C(=O)OC1)C2CCN(CC2)C(=O)C3=C(C(=CS3)C#N)N4C=CC=C4)C

InChI

InChI=1S/C21H24N4O3S/c1-21(2)13-25(20(27)28-14-21)16-5-9-24(10-6-16)19(26)18-17(15(11-22)12-29-18)23-7-3-4-8-23/h3-4,7-8,12,16H,5-6,9-10,13-14H2,1-2H3