2-[2-[[4-(3,4-dimethylphenyl)-3-propoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[4-(3,4-dimethylphenyl)-3-propoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[4-(3,4-dimethylphenyl)-3-propoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[4-(3,4-dimethylphenyl)-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[4-(3,4-dimethylphenyl)-3-propoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[4-(3,4-dimethylphenyl)-3-propoxycarbonyl-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CSCC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CSCC(=O)O

InChI

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