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

Systemtic Name: 2-[(phenethylamino)methyl]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: 2-[(phenethylamino)methyl]-3-(2-thienyl)prop-2-enoic acid CAS Name: 2-[(phenethylamino)methyl]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: 2-[(phenethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: 2-[(phenethylamino)methyl]-3-(2-thienyl)acrylic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c18-16(19)14(11-15-7-4-10-20-15)12-17-9-8-13-5-2-1-3-6-13/h1-7,10-11,17H,8-9,12H2,(H,18,19)