(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl 5-chloranyl-3-methyl-indole-1-carboxylate

Systemtic Name: (3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl 5-chloranyl-3-methyl-indole-1-carboxylate Openeye Name: (3-allyloxy-3-oxo-propyl)sulfonyl 5-chloro-3-methyl-indole-1-carboxylate CAS Name: 5-chloro-3-methyl-1-indolecarboxylic acid (3-oxo-3-prop-2-enoxypropyl)sulfonyl ester IUPAC Name: (3-oxo-3-prop-2-enoxypropyl)sulfonyl 5-chloro-3-methylindole-1-carboxylate Traditional Name: 5-chloro-3-methyl-indole-1-carboxylic acid (3-allyloxy-3-keto-propyl)sulfonyl ester Formula: C16H16ClNO6S MolecularWeight: 385.81934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2)Cl)C(=O)OS(=O)(=O)CCC(=O)OCC=C

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2)Cl)C(=O)OS(=O)(=O)CCC(=O)OCC=C

InChI

InChI=1S/C16H16ClNO6S/c1-3-7-23-15(19)6-8-25(21,22)24-16(20)18-10-11(2)13-9-12(17)4-5-14(13)18/h3-5,9-10H,1,6-8H2,2H3