ethyl 5-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]-1-propan-2-yl-2H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]-1-propan-2-yl-2H-pyrrole-3-carboxylate Openeye Name: ethyl 1-isopropyl-5-oxo-4-(4-phenylsulfanylanilino)-2H-pyrrole-3-carboxylate CAS Name: 5-oxo-4-[4-(phenylthio)anilino]-1-propan-2-yl-2H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-4-(4-phenylsulfanylanilino)-1-propan-2-yl-2H-pyrrole-3-carboxylate Traditional Name: 1-isopropyl-5-keto-4-[4-(phenylthio)anilino]-3-pyrroline-3-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C1)C(C)C)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(C1)C(C)C)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-4-27-22(26)19-14-24(15(2)3)21(25)20(19)23-16-10-12-18(13-11-16)28-17-8-6-5-7-9-17/h5-13,15,23H,4,14H2,1-3H3