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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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