ethyl 5-carbamimidoylsulfanyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-carbamimidoylsulfanyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-carbamimidoylsulfanyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-(carbamimidoylthio)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamimidoylsulfanyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(amidinothio)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)SC(=N)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)SC(=N)N)C

InChI

InChI=1S/C15H17N3O2S/c1-3-20-14(19)11-9(2)18-13(21-15(16)17)12(11)10-7-5-4-6-8-10/h4-8,18H,3H2,1-2H3,(H3,16,17)