(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H27NO6S2 MolecularWeight: 489.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(C)C

InChI

InChI=1S/C24H27NO6S2/c1-15(2)19-13-20-18(12-22(26)31-21(20)11-16(19)3)14-30-24(27)17-6-8-25(9-7-17)33(28,29)23-5-4-10-32-23/h4-5,10-13,15,17H,6-9,14H2,1-3H3