tert-butyl 2-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 2-(1-methoxycarbonylvinyl)-6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)indole-1-carboxylate CAS Name: 2-(3-methoxy-3-oxoprop-1-en-2-yl)-6-methylsulfonyloxy-3-[2-(2-oxanyloxy)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-methoxy-3-oxoprop-1-en-2-yl)-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate Traditional Name: 2-(1-carbomethoxyvinyl)-6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)indole-1-carboxylic acid tert-butyl ester Formula: C25H33NO9S MolecularWeight: 523.59582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1C(=C)C(=O)OC)CCOC3CCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1C(=C)C(=O)OC)CCOC3CCCCO3

InChI

InChI=1S/C25H33NO9S/c1-16(23(27)31-5)22-19(12-14-33-21-9-7-8-13-32-21)18-11-10-17(35-36(6,29)30)15-20(18)26(22)24(28)34-25(2,3)4/h10-11,15,21H,1,7-9,12-14H2,2-6H3