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5-decyl-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid

5-decyl-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name:5-decyl-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
Openeye Name:2-(benzyloxycarbonylamino)-5-decyl-thiophene-3-carboxylic acid
CAS Name:5-decyl-2-(phenylmethoxycarbonylamino)-3-thiophenecarboxylic acid
IUPAC Name:5-decyl-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
Traditional Name:2-(benzyloxycarbonylamino)-5-decyl-3-thenoic acid
Formula: C23H31NO4S
MolecularWeight: 417.56154
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C23H31NO4S/c1-2-3-4-5-6-7-8-12-15-19-16-20(22(25)26)21(29-19)24-23(27)28-17-18-13-10-9-11-14-18/h9-11,13-14,16H,2-8,12,15,17H2,1H3,(H,24,27)(H,25,26)


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