ethyl 5-azanyl-2-oxidanylidene-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-2-oxidanylidene-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 5-amino-2-oxo-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carboxylate CAS Name: 5-amino-2-oxo-1-[2-(phenylthio)phenyl]-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-oxo-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carboxylate Traditional Name: 2-amino-5-keto-1-[2-(phenylthio)phenyl]-2-pyrroline-3-carboxylic acid ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1)C2=CC=CC=C2SC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1)C2=CC=CC=C2SC3=CC=CC=C3)N

InChI

InChI=1S/C19H18N2O3S/c1-2-24-19(23)14-12-17(22)21(18(14)20)15-10-6-7-11-16(15)25-13-8-4-3-5-9-13/h3-11H,2,12,20H2,1H3