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

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

Systemtic Name:2-[(pentylamino)methyl]-3-thiophen-2-yl-prop-2-enoic acid
Openeye Name:2-[(pentylamino)methyl]-3-(2-thienyl)prop-2-enoic acid
CAS Name:2-[(pentylamino)methyl]-3-thiophen-2-yl-2-propenoic acid
IUPAC Name:2-[(pentylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid
Traditional Name:2-[(amylamino)methyl]-3-(2-thienyl)acrylic acid
Formula: C13H19NO2S
MolecularWeight: 253.36046
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(=CC1=CC=CS1)C(=O)O


Isomeric SMILES

CCCCCNCC(=CC1=CC=CS1)C(=O)O


InChI

InChI=1S/C13H19NO2S/c1-2-3-4-7-14-10-11(13(15)16)9-12-6-5-8-17-12/h5-6,8-9,14H,2-4,7,10H2,1H3,(H,15,16)


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