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2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name:2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazole-4-carboxylic acid
Openeye Name:2-[[(E)-octadec-9-enoyl]amino]thiazole-4-carboxylic acid
CAS Name:2-[[(E)-1-oxooctadec-9-enyl]amino]-4-thiazolecarboxylic acid
IUPAC Name:2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazole-4-carboxylic acid
Traditional Name:2-[[(E)-octadec-9-enoyl]amino]thiazole-4-carboxylic acid
Formula: C22H36N2O3S
MolecularWeight: 408.59784
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NC(=CS1)C(=O)O


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NC(=CS1)C(=O)O


InChI

InChI=1S/C22H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)24-22-23-19(18-28-22)21(26)27/h9-10,18H,2-8,11-17H2,1H3,(H,26,27)(H,23,24,25)/b10-9+


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