methyl 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-isothiocyanato-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(N1)C2=CC=CC=C2)N=C=S

Isomeric SMILES

COC(=O)C1=C(C=C(N1)C2=CC=CC=C2)N=C=S

InChI

InChI=1S/C13H10N2O2S/c1-17-13(16)12-11(14-8-18)7-10(15-12)9-5-3-2-4-6-9/h2-7,15H,1H3