methyl 4-pyrrolidin-1-yl-3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 4-pyrrolidin-1-yl-3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 4-pyrrolidin-1-yl-3-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate CAS Name: 3-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-pyrrolidin-1-yl-3-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate Traditional Name: 4-pyrrolidino-3-[4-(3-thenoylamino)butanoylamino]benzoic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H25N3O4S/c1-28-21(27)15-6-7-18(24-10-2-3-11-24)17(13-15)23-19(25)5-4-9-22-20(26)16-8-12-29-14-16/h6-8,12-14H,2-5,9-11H2,1H3,(H,22,26)(H,23,25)