methyl 1-(5-ethoxy-5-oxidanylidene-4-prop-2-enylsulfonyl-pentyl)indole-3-carboxylate

Systemtic Name: methyl 1-(5-ethoxy-5-oxidanylidene-4-prop-2-enylsulfonyl-pentyl)indole-3-carboxylate Openeye Name: methyl 1-(4-allylsulfonyl-5-ethoxy-5-oxo-pentyl)indole-3-carboxylate CAS Name: 1-(5-ethoxy-5-oxo-4-prop-2-enylsulfonylpentyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-ethoxy-5-oxo-4-prop-2-enylsulfonylpentyl)indole-3-carboxylate Traditional Name: 1-(4-allylsulfonyl-5-ethoxy-5-keto-pentyl)indole-3-carboxylic acid methyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN1C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)CC=C

Isomeric SMILES

CCOC(=O)C(CCCN1C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)CC=C

InChI

InChI=1S/C20H25NO6S/c1-4-13-28(24,25)18(20(23)27-5-2)11-8-12-21-14-16(19(22)26-3)15-9-6-7-10-17(15)21/h4,6-7,9-10,14,18H,1,5,8,11-13H2,2-3H3