ethyl 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-27-22(26)20-18(17-11-7-4-8-12-17)14-24-21(20)28-15-19(25)23-13-16-9-5-3-6-10-16/h3-12,14,24H,2,13,15H2,1H3,(H,23,25)