tert-butyl 3-ethyl-5-methanoyl-4-thiophen-3-yl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-methanoyl-4-thiophen-3-yl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-formyl-4-(3-thienyl)-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-formyl-4-(3-thiophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-formyl-4-thiophen-3-yl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-5-formyl-4-(3-thienyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CSC=C2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C2=CSC=C2)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H19NO3S/c1-5-11-13(10-6-7-21-9-10)12(8-18)17-14(11)15(19)20-16(2,3)4/h6-9,17H,5H2,1-4H3