[2-oxidanylidene-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-[[(S)-phenyl(2-thienyl)methyl]amino]ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[[(S)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=CS3)OC

InChI

InChI=1S/C22H21NO5S/c1-26-17-11-16(12-18(13-17)27-2)22(25)28-14-20(24)23-21(19-9-6-10-29-19)15-7-4-3-5-8-15/h3-13,21H,14H2,1-2H3,(H,23,24)/t21-/m0/s1