methyl 4-[[2-[5-oxidanylidene-1-(1-thiophen-2-ylethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-oxidanylidene-1-(1-thiophen-2-ylethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[5-oxo-1-[1-(2-thienyl)ethyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[5-oxo-1-(1-thiophen-2-ylethyl)-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[5-keto-1-[1-(2-thienyl)ethyl]pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CS1)N2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-15(19-4-3-13-27-19)23-18(9-10-20(23)24)11-12-22-14-16-5-7-17(8-6-16)21(25)26-2/h3-8,13,15,18,22H,9-12,14H2,1-2H3