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2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylic acid

2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylic acid

Systemtic Name:2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylic acid
Openeye Name:2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylic acid
CAS Name:2-[[octoxy(oxo)methyl]amino]-5-phenethyl-3-thiophenecarboxylic acid
IUPAC Name:2-(octoxycarbonylamino)-5-phenethylthiophene-3-carboxylic acid
Traditional Name:2-(octoxycarbonylamino)-5-phenethyl-3-thenoic acid
Formula: C22H29NO4S
MolecularWeight: 403.53496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C22H29NO4S/c1-2-3-4-5-6-10-15-27-22(26)23-20-19(21(24)25)16-18(28-20)14-13-17-11-8-7-9-12-17/h7-9,11-12,16H,2-6,10,13-15H2,1H3,(H,23,26)(H,24,25)


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