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2-[6-(phenylmethyl)octoxycarbonylamino]thiophene-3-carboxylic acid

2-[6-(phenylmethyl)octoxycarbonylamino]thiophene-3-carboxylic acid

Systemtic Name:2-[6-(phenylmethyl)octoxycarbonylamino]thiophene-3-carboxylic acid
Openeye Name:2-(6-benzyloctoxycarbonylamino)thiophene-3-carboxylic acid
CAS Name:2-[[oxo-[6-(phenylmethyl)octoxy]methyl]amino]-3-thiophenecarboxylic acid
IUPAC Name:2-(6-benzyloctoxycarbonylamino)thiophene-3-carboxylic acid
Traditional Name:2-(6-benzyloctoxycarbonylamino)-3-thenoic acid
Formula: C21H27NO4S
MolecularWeight: 389.50838
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCOC(=O)NC1=C(C=CS1)C(=O)O)CC2=CC=CC=C2


Isomeric SMILES

CCC(CCCCCOC(=O)NC1=C(C=CS1)C(=O)O)CC2=CC=CC=C2


InChI

InChI=1S/C21H27NO4S/c1-2-16(15-17-10-5-3-6-11-17)9-7-4-8-13-26-21(25)22-19-18(20(23)24)12-14-27-19/h3,5-6,10-12,14,16H,2,4,7-9,13,15H2,1H3,(H,22,25)(H,23,24)


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