1-[(2S)-2-(ethanoylsulfanylmethyl)butanoyl]-4-(furan-2-yl)pyrrole-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-(ethanoylsulfanylmethyl)butanoyl]-4-(furan-2-yl)pyrrole-2-carboxylic acid Openeye Name: 1-[(2S)-2-(acetylsulfanylmethyl)butanoyl]-4-(2-furyl)pyrrole-2-carboxylic acid CAS Name: 1-[(2S)-2-[(acetylthio)methyl]-1-oxobutyl]-4-(2-furanyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-[(2S)-2-(acetylsulfanylmethyl)butanoyl]-4-(furan-2-yl)pyrrole-2-carboxylic acid Traditional Name: 1-[(2S)-2-[(acetylthio)methyl]butanoyl]-4-(2-furyl)pyrrole-2-carboxylic acid Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C)C(=O)N1C=C(C=C1C(=O)O)C2=CC=CO2

Isomeric SMILES

CC[C@H](CSC(=O)C)C(=O)N1C=C(C=C1C(=O)O)C2=CC=CO2

InChI

InChI=1S/C16H17NO5S/c1-3-11(9-23-10(2)18)15(19)17-8-12(7-13(17)16(20)21)14-5-4-6-22-14/h4-8,11H,3,9H2,1-2H3,(H,20,21)/t11-/m1/s1