methyl 4-methyl-3-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(2-thenoylamino)propanoylamino]benzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H18N2O4S/c1-11-5-6-12(17(22)23-2)10-13(11)19-15(20)7-8-18-16(21)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)