5-[2-[[3-methyl-1-(4-piperidin-1-ylthiophen-3-yl)butyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[[3-methyl-1-(4-piperidin-1-ylthiophen-3-yl)butyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-[[3-methyl-1-[4-(1-piperidyl)-3-thienyl]butyl]amino]-2-oxo-ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-[[3-methyl-1-[4-(1-piperidinyl)-3-thiophenyl]butyl]amino]-2-oxoethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[[3-methyl-1-(4-piperidin-1-ylthiophen-3-yl)butyl]amino]-2-oxoethyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-keto-2-[[3-methyl-1-(4-piperidino-3-thienyl)butyl]amino]ethyl]-2-thenoic acid Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CSC=C1N2CCCCC2)NC(=O)CC3=CC=C(S3)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CSC=C1N2CCCCC2)NC(=O)CC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C21H28N2O3S2/c1-14(2)10-17(16-12-27-13-18(16)23-8-4-3-5-9-23)22-20(24)11-15-6-7-19(28-15)21(25)26/h6-7,12-14,17H,3-5,8-11H2,1-2H3,(H,22,24)(H,25,26)