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

Systemtic Name: methyl 4-bromanyl-5-[3-(cycloheptylamino)phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 4-bromo-5-[3-(cycloheptylamino)phenyl]-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-5-[3-(cycloheptylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[3-(cycloheptylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 4-bromo-5-[3-(cycloheptylamino)phenyl]-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCCCC3)C(=O)OC

InChI

InChI=1S/C23H28BrNO5S/c1-3-29-18(26)14-30-20-19(24)21(31-22(20)23(27)28-2)15-9-8-12-17(13-15)25-16-10-6-4-5-7-11-16/h8-9,12-13,16,25H,3-7,10-11,14H2,1-2H3