methyl 4-methyl-3-(4-thiophen-2-ylbutanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(4-thiophen-2-ylbutanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[4-(2-thienyl)butanoylamino]benzoate CAS Name: 4-methyl-3-[(1-oxo-4-thiophen-2-ylbutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(4-thiophen-2-ylbutanoylamino)benzoate Traditional Name: 4-methyl-3-[4-(2-thienyl)butanoylamino]benzoic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C17H19NO3S/c1-12-8-9-13(17(20)21-2)11-15(12)18-16(19)7-3-5-14-6-4-10-22-14/h4,6,8-11H,3,5,7H2,1-2H3,(H,18,19)