methyl 4-[2-[[3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[3-methyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[3-methyl-2-(2-thenoylamino)butanoyl]amino]ethyl]benzoic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H24N2O4S/c1-13(2)17(22-18(23)16-5-4-12-27-16)19(24)21-11-10-14-6-8-15(9-7-14)20(25)26-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,21,24)(H,22,23)