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

Systemtic Name: methyl 3-methyl-4-[4-(thiophen-2-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 3-methyl-4-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate CAS Name: 3-methyl-4-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate Traditional Name: 3-methyl-4-[4-(2-thenoylamino)butanoylamino]benzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-12-11-13(18(23)24-2)7-8-14(12)20-16(21)6-3-9-19-17(22)15-5-4-10-25-15/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,19,22)(H,20,21)