5-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[4-(5-bromo-2-thienyl)butanoylamino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[4-(5-bromo-2-thienyl)butanoylamino]-3-methyl-2-thenoic acid Formula: C14H14BrNO3S2 MolecularWeight: 388.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C14H14BrNO3S2/c1-8-7-12(21-13(8)14(18)19)16-11(17)4-2-3-9-5-6-10(15)20-9/h5-7H,2-4H2,1H3,(H,16,17)(H,18,19)