2-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C17H16FNO5S2 MolecularWeight: 397.441043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO5S2/c1-2-24-17(23)15-12(10-3-5-11(18)6-4-10)7-26-16(15)19-13(20)8-25-9-14(21)22/h3-7H,2,8-9H2,1H3,(H,19,20)(H,21,22)