2-[2-[[3-(4-tert-butylphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-(4-tert-butylphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-(4-tert-butylbenzoyl)-5-ethyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-[(4-tert-butylphenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-(4-tert-butylbenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-(4-tert-butylbenzoyl)-5-ethyl-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H25NO4S2/c1-5-15-10-16(20(28-15)22-17(23)11-27-12-18(24)25)19(26)13-6-8-14(9-7-13)21(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)