methyl 2-(butoxycarbonylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(butoxycarbonylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate Openeye Name: methyl 2-(butoxycarbonylamino)-4-tetralin-6-yl-thiophene-3-carboxylate CAS Name: 2-[[butoxy(oxo)methyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butoxycarbonylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate Traditional Name: 2-(butoxycarbonylamino)-4-tetralin-6-yl-thiophene-3-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)OC

Isomeric SMILES

CCCCOC(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-3-4-11-26-21(24)22-19-18(20(23)25-2)17(13-27-19)16-10-9-14-7-5-6-8-15(14)12-16/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,24)