tert-butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-5-(phenylsulfinylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-5-(phenylsulfinylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(benzenesulfinylmethyl)-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(benzenesulfinylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(benzenesulfinylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(benzenesulfinylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=C(N1)CS(=O)C2=CC=CC=C2)CC(=O)OC)CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=C(N1)CS(=O)C2=CC=CC=C2)CC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C23H29NO7S/c1-23(2,3)31-22(27)21-16(11-12-19(25)29-4)17(13-20(26)30-5)18(24-21)14-32(28)15-9-7-6-8-10-15/h6-10,24H,11-14H2,1-5H3