methyl 3-[(2-ethylbutanoylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(2-ethylbutanoylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(2-ethylbutanoylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[(2-ethyl-1-oxobutyl)amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-ethylbutanoylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(2-ethylbutanoylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NC(=O)CC2=CSC=C2

Isomeric SMILES

CCC(CC)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NC(=O)CC2=CSC=C2

InChI

InChI=1S/C21H26N2O4S/c1-4-16(5-2)20(25)22-12-15-8-17(21(26)27-3)11-18(9-15)23-19(24)10-14-6-7-28-13-14/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,22,25)(H,23,24)