[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C24H20N2O3S/c27-22(25-23(21-9-6-16-30-21)18-7-2-1-3-8-18)17-29-24(28)19-10-12-20(13-11-19)26-14-4-5-15-26/h1-16,23H,17H2,(H,25,27)/t23-/m1/s1