ethyl 3-azanyl-5-methylsulfanyl-2-(phenylcarbonyl)-2H-pyrrole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-5-methylsulfanyl-2-(phenylcarbonyl)-2H-pyrrole-4-carboxylate Openeye Name: ethyl 3-amino-2-benzoyl-5-methylsulfanyl-2H-pyrrole-4-carboxylate CAS Name: 3-amino-2-benzoyl-5-(methylthio)-2H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-benzoyl-5-methylsulfanyl-2H-pyrrole-4-carboxylate Traditional Name: 3-amino-2-benzoyl-5-(methylthio)-2H-pyrrole-4-carboxylic acid ethyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(N=C1SC)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(C(N=C1SC)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2O3S/c1-3-20-15(19)10-11(16)12(17-14(10)21-2)13(18)9-7-5-4-6-8-9/h4-8,12H,3,16H2,1-2H3