ethyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-4-31-24(28)22-18(17-8-6-5-7-9-17)14-26-23(22)32-15-21(27)25-13-16-10-11-19(29-2)20(12-16)30-3/h5-12,14,26H,4,13,15H2,1-3H3,(H,25,27)