2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: 2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: 2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-(2-thienyl)prop-2-enoic acid CAS Name: 2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: 2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: 2-[[2-(3-methoxyphenyl)ethylamino]methyl]-3-(2-thienyl)acrylic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-21-15-5-2-4-13(10-15)7-8-18-12-14(17(19)20)11-16-6-3-9-22-16/h2-6,9-11,18H,7-8,12H2,1H3,(H,19,20)