2-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-3-(2-thienyl)prop-2-enoic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: 2-[(homoveratrylamino)methyl]-3-(2-thienyl)acrylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(=CC2=CC=CS2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(=CC2=CC=CS2)C(=O)O)OC

InChI

InChI=1S/C18H21NO4S/c1-22-16-6-5-13(10-17(16)23-2)7-8-19-12-14(18(20)21)11-15-4-3-9-24-15/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,20,21)