methyl 4-bromanyl-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 4-bromo-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 4-bromo-5-[3-(cyclopentylamino)phenyl]-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCC3)C(=O)OC

InChI

InChI=1S/C21H24BrNO5S/c1-3-27-16(24)12-28-18-17(22)19(29-20(18)21(25)26-2)13-7-6-10-15(11-13)23-14-8-4-5-9-14/h6-7,10-11,14,23H,3-5,8-9,12H2,1-2H3