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

Systemtic Name: methyl 4-pyrrolidin-1-yl-3-[3-(thiophen-3-ylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4-pyrrolidin-1-yl-3-[3-(thiophene-3-carbonylamino)propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-pyrrolidin-1-yl-3-[3-(thiophene-3-carbonylamino)propanoylamino]benzoate Traditional Name: 4-pyrrolidino-3-[3-(3-thenoylamino)propanoylamino]benzoic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-27-20(26)14-4-5-17(23-9-2-3-10-23)16(12-14)22-18(24)6-8-21-19(25)15-7-11-28-13-15/h4-5,7,11-13H,2-3,6,8-10H2,1H3,(H,21,25)(H,22,24)