2-[2-[[3-(3,4-dimethoxyphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-(3,4-dimethoxyphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-(3,4-dimethoxybenzoyl)-5-ethyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-[(3,4-dimethoxyphenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-(3,4-dimethoxybenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(5-ethyl-3-veratroyl-2-thienyl)amino]-2-keto-ethyl]thio]acetic acid Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H21NO6S2/c1-4-12-8-13(19(28-12)20-16(21)9-27-10-17(22)23)18(24)11-5-6-14(25-2)15(7-11)26-3/h5-8H,4,9-10H2,1-3H3,(H,20,21)(H,22,23)