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

Systemtic Name: 2-[2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-carbethoxy-4-(4-ethylphenyl)-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CSCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CSCC(=O)O

InChI

InChI=1S/C19H21NO5S2/c1-3-12-5-7-13(8-6-12)14-9-27-18(17(14)19(24)25-4-2)20-15(21)10-26-11-16(22)23/h5-9H,3-4,10-11H2,1-2H3,(H,20,21)(H,22,23)