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

Systemtic Name: 2-[2-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[4-(4-tert-butylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[4-(4-tert-butylphenyl)-3-carbomethoxy-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSCC(=O)O

InChI

InChI=1S/C20H23NO5S2/c1-20(2,3)13-7-5-12(6-8-13)14-9-28-18(17(14)19(25)26-4)21-15(22)10-27-11-16(23)24/h5-9H,10-11H2,1-4H3,(H,21,22)(H,23,24)