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

Systemtic Name: 2-(octoxycarbonylamino)-5-(phenylmethyl)thiophene-3-carboxylic acid Openeye Name: 5-benzyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid IUPAC Name: 5-benzyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-benzyl-2-(octoxycarbonylamino)-3-thenoic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-2-3-4-5-6-10-13-26-21(25)22-19-18(20(23)24)15-17(27-19)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3,(H,22,25)(H,23,24)