2-ethylsulfanylethyl (3aS,8bR)-2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (3aS,8bR)-2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (3aS,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: (3aS,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (3aS,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate Traditional Name: (3aS,8bR)-3a,8b-dihydroxy-4-keto-2-methyl-1H-indeno[1,2-b]pyrrole-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N[C@@]2([C@@]1(C(=O)C3=CC=CC=C32)O)O)C

InChI

InChI=1S/C17H19NO5S/c1-3-24-9-8-23-15(20)13-10(2)18-17(22)12-7-5-4-6-11(12)14(19)16(13,17)21/h4-7,18,21-22H,3,8-9H2,1-2H3/t16-,17-/m1/s1